data_2ecd_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 2ecd _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 ' 15' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 16' ' ' HIS . 3.5 mmmm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.827 0.346 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 15' ' ' LYS . 36.6 m-70 -34.51 142.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 50.2 m -68.44 -47.52 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.455 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 1.3 p-90 -66.19 -43.22 87.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.438 ' CB ' ' HB2' ' A' ' 16' ' ' HIS . 28.0 t80 -58.31 125.33 22.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -131.71 40.28 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 41.93 -153.33 0.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.552 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 122.59 9.27 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.8 t -140.44 127.16 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.16 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -57.63 140.72 50.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 6.2 tmm_? -40.68 -50.11 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.3 t -62.69 -49.65 74.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.05 -45.43 8.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.79 -59.53 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -51.61 -49.62 61.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -57.88 -65.49 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 tt -42.59 -45.76 4.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 mt -51.33 -37.38 47.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.6 t -56.83 -25.56 56.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.3 t -90.67 35.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.795 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.5 mt -151.74 173.82 14.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.524 HD11 ' CD2' ' A' ' 106' ' ' TYR . 49.2 pt -70.39 176.73 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -84.66 43.65 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.36 39.53 0.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -110.96 142.5 42.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 107' ' ' PRO . 2.8 p90 -131.87 127.8 37.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 42' ' ' VAL . 2.3 pp -124.05 160.54 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.419 ' N ' HD12 ' A' ' 41' ' ' LEU . 99.1 t -120.8 103.09 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.4 ptt85 -93.76 160.93 14.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -131.48 128.21 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -79.96 153.03 29.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -91.65 -53.71 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.6 m -40.62 -70.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.1 t -67.37 140.56 95.21 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.645 0.735 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 108.93 2.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.13 65.52 3.46 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.517 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.24 105.1 13.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.6 mt -97.54 168.94 10.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.9 t -168.81 136.33 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.7 mt -103.36 107.29 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -114.31 103.24 10.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.514 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -105.82 135.67 46.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.894 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -82.43 140.22 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.52 ' CD2' HG22 ' A' ' 102' ' ' THR . 4.5 t80 -161.6 128.13 3.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 4.7 tt0 50.16 40.45 21.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.45 38.29 93.39 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -145.01 149.36 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.353 . . . . 0.0 110.893 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.3 t -113.4 106.56 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -86.47 115.99 24.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -88.76 137.71 32.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -131.19 82.18 2.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.45 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -61.93 104.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.475 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 4.6 mp -57.67 126.57 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -85.17 175.41 8.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.6 m -140.47 135.09 31.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 75.8 p -92.42 165.54 13.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.81 -48.73 10.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.114 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -64.93 -62.99 1.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.77 43.39 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -103.99 164.71 11.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.436 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 17.3 m -123.67 135.83 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.428 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 11.5 p90 -167.8 123.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 67' ' ' ILE . 34.2 m -106.35 74.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -177.52 166.55 2.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.11 3.78 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -89.85 -45.58 9.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.35 -174.93 4.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -131.47 165.71 22.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -128.9 156.24 44.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.7 p -73.84 -62.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.8 p -122.43 176.08 6.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' LEU . 17.7 tp -63.43 -54.91 29.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.986 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -37.65 -46.45 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -68.91 -35.79 77.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 86' ' ' LEU . 7.4 tt -58.32 -48.35 80.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.481 HG12 ' CE2' ' A' ' 40' ' ' PHE . 93.7 t -79.54 -39.95 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -59.04 -61.82 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -53.66 -53.81 46.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 12.2 m-70 -52.82 -47.45 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' HIS . 35.6 t -35.44 -40.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.1 m -74.11 -59.02 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.5 p -125.34 136.97 59.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.47 71.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 t70 51.81 40.21 27.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.85 -49.83 0.87 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.44 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.3 mt -48.45 173.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 102' ' ' THR . 10.6 p -70.03 -32.22 50.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.52 HG22 ' CD2' ' A' ' 58' ' ' TYR . 64.0 p -159.01 -176.25 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.3 p -95.64 109.81 22.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 40.7 mt -47.02 101.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -110.76 -53.0 2.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.524 ' CD2' HD11 ' A' ' 36' ' ' ILE . 25.1 m-85 -104.66 93.04 5.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.713 0.768 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.572 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.76 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.554 0.693 . . . . 0.0 111.099 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.823 0.344 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -66.32 157.51 31.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -79.47 -44.89 20.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.756 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -66.58 -37.75 85.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -70.49 102.91 2.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.406 ' NE2' ' HB1' ' A' ' 108' ' ' ALA . 4.0 m-70 -107.2 40.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 43.71 -156.85 0.16 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.543 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 121.42 8.1 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.761 2.307 . . . . 0.0 112.247 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.464 ' CG1' ' HB1' ' A' ' 27' ' ' ALA . 95.7 t -136.2 131.9 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.5 t -60.42 150.83 29.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -51.18 -66.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.0 p -44.44 -41.1 5.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.464 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -58.26 -57.95 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.06 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.22 -58.59 2.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -46.74 -56.33 6.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -55.77 -43.3 76.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.73 -34.26 72.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 mt -70.77 -44.34 66.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 p -56.37 -27.29 55.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -87.68 34.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.1 mt -149.44 165.78 31.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.4 HD12 ' CD2' ' A' ' 106' ' ' TYR . 35.2 pt -52.34 177.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -85.25 44.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.25 51.06 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.559 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 m -116.86 148.23 41.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.901 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.495 ' CG ' HD22 ' A' ' 104' ' ' LEU . 8.4 p90 -127.46 148.48 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.28 153.23 41.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.2 t -118.17 128.28 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.052 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 -122.86 -179.23 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -154.1 140.11 18.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.486 ' CB ' ' CD ' ' A' ' 51' ' ' GLN . 9.5 t -79.65 150.49 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -87.09 -56.68 3.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 m -79.85 60.39 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -160.86 156.26 21.25 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.59 0.71 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.2 Cg_endo -69.82 86.98 0.57 Allowed 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.679 2.253 . . . . 0.0 112.315 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' PRO . . . 34.68 52.12 0.8 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.486 ' CD ' ' CB ' ' A' ' 45' ' ' SER . 7.9 pt20 -75.8 167.3 22.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.409 ' C ' HD12 ' A' ' 67' ' ' ILE . 96.0 mt -156.41 143.03 18.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.8 m -149.23 142.48 25.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CD1' HD21 ' A' ' 89' ' ' LEU . 68.0 mt -104.91 111.58 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 m -108.74 122.15 46.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.556 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -128.8 143.11 50.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.5 tpp85 -83.68 111.48 19.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.557 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 47.6 t80 -126.09 111.83 15.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 63.95 39.22 8.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.89 -5.25 25.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.575 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -103.15 152.88 20.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.4 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.1 t -100.65 126.08 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 58' ' ' TYR . 94.2 m-85 -115.95 124.38 50.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.944 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.438 ' ND1' ' C ' ' A' ' 64' ' ' HIS . 1.5 p80 -102.67 143.8 31.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -134.99 103.99 5.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 66' ' ' ARG . 2.5 mmm180 -63.91 143.03 58.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.428 HG13 ' CG1' ' A' ' 77' ' ' VAL . 4.4 mp -95.14 119.74 43.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -88.08 127.0 35.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.2 m -103.44 145.91 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.9 p -102.89 173.09 6.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.84 -54.29 5.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -65.8 -66.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.04 46.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -98.49 130.14 45.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.905 0.384 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.469 HG22 ' N ' ' A' ' 86' ' ' LEU . 0.9 OUTLIER -97.76 138.2 23.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.415 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 15.2 p90 -171.32 122.03 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.428 ' CG1' HG13 ' A' ' 67' ' ' ILE . 21.3 m -98.6 76.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.086 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -174.55 172.03 3.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.424 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -125.96 29.43 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -128.31 -29.96 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 t -153.82 -175.6 5.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.4 mtm105 -135.21 173.66 11.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -137.35 144.29 42.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.424 ' C ' HG23 ' A' ' 85' ' ' THR . 1.0 OUTLIER -50.34 -65.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.424 HG23 ' C ' ' A' ' 84' ' ' SER . 29.2 p -142.17 171.4 14.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.469 ' N ' HG22 ' A' ' 75' ' ' VAL . 10.3 tp -43.7 -52.24 6.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.958 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.34 -58.86 1.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.189 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.86 -38.57 91.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.464 HD21 ' CD1' ' A' ' 54' ' ' ILE . 5.1 tt -55.37 -61.45 2.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.87 -46.53 88.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -58.09 -66.45 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -44.82 -44.65 9.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.797 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -52.72 -39.88 62.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -40.63 -38.85 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.0 m -78.14 -60.82 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 p -123.5 142.87 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.32 -61.92 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.5 t0 47.81 51.16 14.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 138.02 -67.96 0.52 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.5 mp -53.03 -178.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.368 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.512 HG13 ' CG ' ' A' ' 63' ' ' TYR . 2.8 m -82.02 -28.33 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.111 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.2 t -161.53 154.54 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.8 p -58.15 125.77 24.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.232 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.495 HD22 ' CG ' ' A' ' 40' ' ' PHE . 70.8 mt -55.24 114.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -82.88 -60.04 2.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.4 ' CD2' HD12 ' A' ' 36' ' ' ILE . 49.0 m-85 -139.57 135.24 16.74 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.795 0.807 . . . . 0.0 110.857 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.477 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.77 -164.63 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.664 2.242 . . . . 0.0 112.307 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.406 ' HB1' ' NE2' ' A' ' 20' ' ' HIS . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 121.638 0.732 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.6 mttm . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.887 0.375 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.49 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 12.5 m-70 -41.76 147.44 0.2 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.9 t -72.95 -47.43 45.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.49 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 1.9 p-90 -59.29 -43.04 92.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -59.23 137.62 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -124.18 -51.83 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.93 -156.28 22.79 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 86.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.362 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.6 t -101.74 137.62 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.217 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.5 m -70.11 164.68 23.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -56.59 -66.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -56.88 -44.45 82.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.63 -53.67 17.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.9 -60.45 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -53.58 -52.57 59.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -42.9 -69.93 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -38.95 -52.0 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.008 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.3 mt -55.35 -43.82 75.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -43.37 -42.43 4.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.8 m -70.56 -47.59 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.795 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.3 mt -59.42 173.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.99 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.9 pt -84.47 -175.82 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -67.47 -50.13 60.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.16 62.46 2.57 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.405 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -138.89 160.38 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.803 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CE2' ' HA ' ' A' ' 107' ' ' PRO . 3.1 p90 -158.9 159.81 35.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 pp -152.48 160.16 43.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.48 104.58 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 -95.24 155.68 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -119.66 148.28 43.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -78.01 147.08 35.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -85.4 -70.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 61.3 p -73.88 -58.7 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -41.48 162.78 0.12 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.731 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -162.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.274 . . . . 0.0 112.251 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.68 65.08 1.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -112.2 86.95 2.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mp -84.07 167.66 16.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.6 t -162.08 142.02 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.4 mt -99.84 104.21 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.2 m -93.89 100.75 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 58' ' ' TYR . 0.5 OUTLIER -109.65 137.0 48.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 100.36 11.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.47 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 92.7 t80 -111.26 157.23 20.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -38.45 96.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 140.74 -98.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.451 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 60' ' ' GLY . 2.8 mpt_? -133.32 166.51 22.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.832 0.349 . . . . 0.0 110.832 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.75 122.72 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -106.06 144.07 33.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -124.19 124.17 41.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.447 ' OH ' ' CG2' ' A' ' 101' ' ' VAL . 62.1 m-85 -100.28 101.29 12.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -67.49 105.2 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.436 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 3.5 mp -56.36 133.63 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -92.35 154.18 18.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.825 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.4 m -136.96 131.79 33.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.2 p -91.56 -177.22 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.81 -55.57 32.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.73 -61.3 2.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.73 59.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -117.89 140.31 49.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.77 0.319 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.7 m -108.67 132.16 57.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.154 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.435 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 27.1 p90 -167.07 121.53 1.04 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.436 ' CG1' ' HA ' ' A' ' 67' ' ' ILE . 29.7 m -99.81 75.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.044 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -176.65 148.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.05 12.17 37.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -99.02 -46.81 5.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -142.79 177.43 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.909 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.435 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 38.8 mtm-85 -125.37 161.38 27.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.465 ' CD2' ' HA ' ' A' ' 89' ' ' LEU . 48.4 m-85 -125.82 169.24 12.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.4 m -98.81 -41.92 7.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.4 p -128.92 161.49 29.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.176 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 87' ' ' ALA . 29.4 tp -60.05 -53.55 56.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -35.79 -41.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -71.31 -47.41 56.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.543 ' C ' ' CD2' ' A' ' 89' ' ' LEU . 1.6 tt -48.66 -35.82 14.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.5 t -90.78 -44.85 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.498 ' O ' ' CB ' ' A' ' 94' ' ' SER . 7.3 t-160 -64.82 -60.71 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.808 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -39.15 -49.55 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.407 ' CE1' ' O ' ' A' ' 98' ' ' ASP . 65.4 m-70 -83.98 33.67 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 25.7 t -99.2 -12.81 20.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -103.89 -36.48 7.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.447 ' CA ' HG21 ' A' ' 103' ' ' THR . 7.7 p -130.53 156.66 42.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -92.33 13.57 18.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' CE1' ' A' ' 93' ' ' HIS . 22.6 m-20 -54.82 83.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 128.17 -32.79 3.33 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.0 mt -107.58 173.56 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.342 . . . . 0.0 110.921 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.447 ' CG2' ' OH ' ' A' ' 65' ' ' TYR . 13.0 t -64.68 -50.85 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.6 t -140.94 161.81 36.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.447 HG21 ' CA ' ' A' ' 96' ' ' VAL . 0.9 OUTLIER -67.12 111.15 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.052 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.54 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 51.6 mt -46.45 112.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -113.75 -60.63 1.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -104.29 93.89 6.23 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-O 121.663 0.744 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.566 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 54.2 Cg_endo -69.78 -31.57 20.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.347 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.643 0.735 . . . . 0.0 111.128 179.889 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 mttm . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.853 0.359 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -68.56 152.83 44.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.2 m -80.84 -33.89 34.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -78.17 -33.19 50.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -68.23 88.73 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.01 -61.02 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.1 -101.98 1.68 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.386 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 82.86 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.249 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.6 t -120.56 131.14 73.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.0 t -80.54 152.63 28.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.77 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -42.46 -60.26 1.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.9 t -57.08 -54.69 43.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.49 -51.61 6.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.3 -58.28 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.27 -59.17 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -44.18 -63.83 0.8 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.18 -53.72 2.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' SER . 57.5 mt -51.54 -59.07 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' LEU . 23.1 t -35.29 -49.47 0.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.9 m -57.25 -47.58 81.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' LEU . 11.2 mt -59.71 -178.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.571 HD12 ' CD2' ' A' ' 106' ' ' TYR . 30.1 pt -75.72 170.03 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -79.14 52.47 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.834 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.53 39.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.504 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -112.66 158.44 20.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 7.8 p90 -131.31 155.49 47.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -145.56 159.97 42.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.5 t -128.89 116.82 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -117.76 160.54 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -94.69 138.69 32.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.0 t -60.08 148.96 33.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.98 -45.53 49.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.5 p -47.16 -65.61 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 50' ' ' GLY . 72.5 m -129.07 143.46 48.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.732 . . . . 0.0 110.883 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.87 8.96 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 48' ' ' SER . . . -98.68 -46.36 2.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -61.01 157.71 14.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 67' ' ' ILE . 24.3 mt -142.61 168.85 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.9 t -157.02 141.74 16.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.4 mt -102.93 98.34 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.185 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 m -93.68 97.95 10.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.491 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 0.6 OUTLIER -115.68 144.22 44.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -93.77 142.72 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -167.55 128.91 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 51.9 43.2 30.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.94 36.17 92.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -140.04 152.25 46.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.2 t -116.55 101.27 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.554 ' CE2' HG23 ' A' ' 101' ' ' VAL . 99.2 m-85 -85.55 143.24 28.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.431 ' H ' ' CD2' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -126.43 109.95 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.838 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.544 ' CE2' HD22 ' A' ' 100' ' ' LEU . 28.4 m-85 -96.77 110.48 22.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -76.68 93.27 3.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.431 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 5.4 mp -48.14 111.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.164 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -75.18 164.71 26.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.3 m -137.81 136.45 37.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.6 p -89.03 176.27 7.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.93 78.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.039 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.45 -53.61 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 135.85 53.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -116.66 150.96 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.8 m -114.03 139.7 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 5.8 p90 -173.06 122.45 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.484 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 32.7 m -105.51 76.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 1.7 t -175.31 176.7 1.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -128.12 4.65 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -95.73 -33.67 12.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m -155.49 -175.04 5.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 27.9 mtm-85 -132.11 170.74 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -137.98 160.13 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.4 p -79.78 -61.94 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.7 p -120.24 175.04 6.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 89' ' ' LEU . 10.7 tp -67.31 -49.41 64.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.64 -43.77 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.205 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -75.49 -34.75 60.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 1.5 tt -58.81 -46.41 87.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.433 HG12 ' CE2' ' A' ' 40' ' ' PHE . 38.4 t -77.56 -47.42 26.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 94' ' ' SER . 51.4 t60 -56.01 -67.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 91' ' ' HIS . 8.2 t60 -36.61 -58.71 0.71 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 25.8 m-70 -49.9 -37.49 31.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' HIS . 12.0 t -43.34 -29.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.4 m -84.11 -54.07 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.0 p -132.69 136.57 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.449 ' N ' HG21 ' A' ' 103' ' ' THR . . . -56.71 -44.43 81.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 30.9 t70 61.07 25.99 15.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.4 4.23 27.05 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.548 HD13 ' CD2' ' A' ' 93' ' ' HIS . 17.9 mt -90.07 142.51 27.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.554 HG23 ' CE2' ' A' ' 63' ' ' TYR . 4.8 p -33.82 -36.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.042 0.448 . . . . 0.0 111.202 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 100' ' ' LEU . 13.5 t -173.76 149.64 1.6 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.151 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.449 HG21 ' N ' ' A' ' 97' ' ' ALA . 4.7 p -61.7 134.16 56.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 4.6 mt -77.36 88.87 3.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -110.91 -16.68 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.571 ' CD2' HD12 ' A' ' 36' ' ' ILE . 69.6 m-85 -127.43 84.38 63.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.69 0.757 . . . . 0.0 110.886 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.84 -177.42 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.677 0.751 . . . . 0.0 111.045 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.855 0.36 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -73.53 158.38 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.9 m -83.89 -39.16 20.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -73.38 -27.94 61.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -75.68 111.72 11.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -116.32 40.88 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 41.58 -157.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.524 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 93.9 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 27' ' ' ALA . 91.0 t -94.88 136.67 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' ARG . 47.6 t -66.68 136.12 55.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' SER . 16.7 ttt85 -36.71 -65.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.787 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.3 t -47.11 -50.01 20.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.457 ' HB2' ' CG1' ' A' ' 23' ' ' VAL . . . -52.74 -52.94 54.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.089 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.11 -40.06 3.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -83.11 -21.99 33.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' ALA . 37.0 t80 -74.24 -54.25 8.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.85 -53.49 48.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.5 -36.43 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -60.31 -28.79 68.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.0 t -98.59 27.81 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.808 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.3 mt -141.82 161.23 38.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -49.2 162.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -80.56 50.7 1.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.61 31.83 0.18 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.429 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -108.59 141.53 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.822 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.534 ' CE1' ' HA ' ' A' ' 107' ' ' PRO . 4.6 p90 -121.27 155.66 34.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.86 157.86 43.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 t -127.27 108.13 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -103.77 178.58 4.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -132.14 121.37 23.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -56.28 135.92 53.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -83.54 165.77 18.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m 40.78 42.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.6 p -132.99 146.43 61.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.726 0.774 . . . . 0.0 110.783 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.8 87.58 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.236 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 43.63 55.91 5.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.46 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -111.59 123.34 50.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.0 mt -112.9 170.21 8.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.4 m -164.45 151.23 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.9 mt -114.38 126.97 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.076 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.1 m -119.98 113.05 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.54 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -120.69 144.39 48.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -91.39 137.61 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 61' ' ' ARG . 23.2 t80 -156.15 147.65 22.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' TYR . 5.8 pt-20 35.82 41.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.87 42.83 99.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' TYR . 76.9 mtt180 -148.88 150.11 32.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.6 t -106.5 106.96 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.572 ' CE1' HG22 ' A' ' 101' ' ' VAL . 55.0 m-85 -85.85 155.41 20.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -127.5 144.55 51.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.408 ' OH ' ' CG1' ' A' ' 101' ' ' VAL . 58.0 m-85 -144.68 114.55 7.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -81.04 114.86 20.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.422 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 33.9 mt -68.44 109.62 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -71.85 -175.67 1.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.87 131.78 6.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.463 ' CG2' ' HB2' ' A' ' 74' ' ' LYS . 9.2 t -134.6 -175.41 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 70' ' ' THR . . . -36.19 142.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 62.13 26.12 15.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.784 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 44.72 62.87 2.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.463 ' HB2' ' CG2' ' A' ' 70' ' ' THR . 38.3 mttm -99.11 122.07 41.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.5 m -94.37 137.01 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.542 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 12.0 p90 -174.49 121.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.422 ' CG1' ' HA ' ' A' ' 67' ' ' ILE . 30.7 m -101.28 76.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -174.49 173.11 2.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -127.2 19.51 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.051 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -117.57 -29.24 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 t -153.01 171.36 18.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.542 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 94.1 mtm-85 -129.69 173.68 10.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -138.03 165.58 26.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.6 m -80.23 -60.46 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.1 p -131.22 -177.33 4.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.076 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 89' ' ' LEU . 10.8 tp -64.38 -56.66 12.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.72 -42.23 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -75.48 -35.21 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.819 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.463 HD21 ' N ' ' A' ' 90' ' ' VAL . 7.0 tt -64.01 -48.49 76.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.463 ' N ' HD21 ' A' ' 89' ' ' LEU . 54.5 t -76.4 -29.12 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -70.97 -67.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -45.77 -51.03 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.417 ' CD2' HD11 ' A' ' 100' ' ' LEU . 3.5 m-70 -46.61 -46.23 19.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -44.07 -42.7 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.3 m -71.24 -50.67 30.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.2 p -134.47 139.03 48.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.24 -63.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.5 t70 68.67 38.02 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 116.32 -32.89 5.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.417 HD11 ' CD2' ' A' ' 93' ' ' HIS . 11.9 mt -60.12 158.59 10.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.572 HG22 ' CE1' ' A' ' 63' ' ' TYR . 4.3 p -56.38 -34.91 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.6 t -167.08 155.72 10.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -65.9 110.92 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.22 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 103' ' ' THR . 24.9 mt -35.91 101.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -72.99 -71.07 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -130.37 134.47 26.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.668 0.747 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.534 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.83 -177.35 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.739 2.293 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 121.551 0.691 . . . . 0.0 111.139 179.865 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.824 0.345 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.446 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 23.1 m-70 -69.4 142.91 53.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.3 m -64.87 -46.76 80.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.788 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.446 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 6.2 p-90 -63.36 -41.0 98.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.05 102.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -89.9 -42.05 11.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.03 -112.82 4.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.401 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 89.78 0.52 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.735 2.29 . . . . 0.0 112.378 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 43' ' ' ARG . 81.9 t -135.35 121.52 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -72.86 174.38 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 26' ' ' SER . 39.8 ptt180 -69.01 -49.06 61.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 50.3 m -68.09 -38.68 82.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.76 -52.01 65.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.96 -59.92 4.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -51.68 -44.65 63.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -59.25 -41.86 89.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -53.54 52.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.992 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.1 mt -45.83 -48.01 15.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.943 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 t -49.34 -43.73 43.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.5 t -65.05 -48.16 74.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 32.5 mt -53.96 176.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.7 pt -68.23 178.42 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -83.34 39.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.55 73.28 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -146.97 150.89 36.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.939 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 104' ' ' LEU . 1.7 p90 -125.99 151.62 46.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 42' ' ' VAL . 1.6 pp -138.42 164.05 30.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.464 ' N ' HD12 ' A' ' 41' ' ' LEU . 98.8 t -131.89 112.68 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.455 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . 31.4 ptt85 -109.71 177.07 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -115.52 130.87 57.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 48' ' ' SER . 59.3 m -70.88 124.24 23.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.79 -56.34 6.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 m -64.57 -34.91 79.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.431 ' HB2' ' CB ' ' A' ' 45' ' ' SER . 24.1 m -97.51 102.94 14.19 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.653 0.739 . . . . 0.0 110.838 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 150.44 68.71 Favored 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.758 2.305 . . . . 0.0 112.318 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 52.69 21.77 10.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.465 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -120.09 137.56 54.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.35 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.1 mt -117.55 167.38 11.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.4 m -146.32 139.74 25.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.6 mt -108.2 88.67 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -84.39 104.28 14.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.523 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -114.76 124.73 52.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.427 ' CZ ' ' HA2' ' A' ' 60' ' ' GLY . 10.3 tpt85 -76.01 127.64 33.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.546 ' CD2' HG23 ' A' ' 102' ' ' THR . 42.5 t80 -164.23 136.26 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 4.8 mm-40 62.18 29.52 17.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.427 ' HA2' ' CZ ' ' A' ' 57' ' ' ARG . . . 87.32 -75.34 2.16 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -57.78 144.29 38.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.16 125.61 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.566 ' CD2' HG23 ' A' ' 101' ' ' VAL . 26.5 m-85 -101.24 144.41 30.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 65' ' ' TYR . 1.9 p-80 -124.83 174.99 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 64' ' ' HIS . 95.4 m-85 -160.84 105.4 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -76.65 94.32 3.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.458 ' CG2' ' HB ' ' A' ' 75' ' ' VAL . 3.6 mp -44.02 140.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -97.6 -177.46 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.4 m -157.54 138.99 13.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.7 p -100.44 174.98 5.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.206 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.39 -50.72 9.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.3 -59.53 3.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.2 44.31 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -99.67 122.1 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.458 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 34.3 m -89.98 136.42 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.073 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.427 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 9.9 p90 -172.38 120.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 67' ' ' ILE . 35.6 m -98.19 76.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 t -175.03 170.78 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.15 9.61 9.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.186 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -101.84 -43.64 5.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -142.36 -175.08 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.768 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.4 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 78.3 mtm180 -132.26 178.16 7.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.773 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -145.89 151.7 38.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.425 ' C ' HG23 ' A' ' 85' ' ' THR . 1.1 t -63.45 -64.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.803 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.425 HG23 ' C ' ' A' ' 84' ' ' SER . 14.4 p -135.08 179.07 6.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.454 ' N ' HG23 ' A' ' 75' ' ' VAL . 11.6 tp -54.28 -56.54 17.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -34.17 -47.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -78.27 -38.6 42.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' LEU . 6.8 tt -53.63 -38.47 64.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.41 ' CG1' ' CZ ' ' A' ' 40' ' ' PHE . 96.3 t -89.43 -59.95 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -46.92 -49.53 20.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -61.14 -56.94 14.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.403 ' CD2' HD12 ' A' ' 100' ' ' LEU . 2.8 m-70 -51.62 -31.69 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 t -53.76 -16.29 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 m -92.98 -37.48 12.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 97' ' ' ALA . 14.7 p -139.66 143.75 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -79.77 12.73 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 97' ' ' ALA . 3.9 t0 -37.46 93.15 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 80.8 39.7 13.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 97' ' ' ALA . 28.2 mt -149.86 163.74 37.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.858 0.361 . . . . 0.0 110.982 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.566 HG23 ' CD2' ' A' ' 63' ' ' TYR . 5.8 p -64.69 -40.49 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.546 HG23 ' CD2' ' A' ' 58' ' ' TYR . 4.9 t -165.69 155.58 12.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 105' ' ' HIS . 5.8 p -61.03 109.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.094 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 49.4 mt -38.39 92.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 103' ' ' THR . 15.4 m170 -59.58 -69.6 0.2 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -132.52 135.08 25.61 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.71 0.767 . . . . 0.0 110.903 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.506 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.72 -178.95 2.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.755 2.303 . . . . 0.0 112.347 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 111.066 179.905 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.853 0.359 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -94.24 163.47 13.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 5.1 m -86.61 -37.89 17.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.463 ' CA ' ' HB2' ' A' ' 107' ' ' PRO . 1.1 p-90 -78.88 -38.87 36.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -63.14 140.53 58.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -121.77 -33.36 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.28 -147.46 18.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 85.52 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.632 2.221 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.27 149.24 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 27' ' ' ALA . 13.1 t -102.37 143.37 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -38.76 -46.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.814 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 t -65.44 -40.61 93.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.789 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 24' ' ' SER . . . -68.43 -61.82 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.61 -54.99 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -53.86 -41.82 67.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' SER . 2.5 t80 -64.93 -60.35 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.433 ' N ' ' CD2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -41.73 -45.76 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.985 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' CD1' HD22 ' A' ' 41' ' ' LEU . 20.5 mt -77.46 -25.62 50.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.922 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' TYR . 37.2 t -73.47 1.91 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.6 m -121.11 27.22 8.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.7 mt -136.41 -177.35 4.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.2 pt -69.42 -178.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -93.29 39.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.55 52.77 0.42 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.393 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.4 m -135.99 158.32 44.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 107' ' ' PRO . 7.0 p90 -141.11 161.35 38.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.445 HD22 ' CD1' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -149.69 156.27 41.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -122.89 102.58 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -96.97 172.14 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -111.28 122.87 48.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.8 t -39.2 142.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -91.4 -57.94 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.7 t -54.59 -55.64 27.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.799 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 t -94.34 115.96 65.85 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.689 0.757 . . . . 0.0 110.829 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 125.51 12.25 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.676 2.25 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.18 -38.73 3.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -55.73 156.49 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.3 mt -137.51 168.7 19.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 m -162.48 146.14 11.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.0 mt -102.28 99.08 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.9 m -91.59 102.45 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 58' ' ' TYR . 0.5 OUTLIER -104.82 138.42 41.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -96.51 104.45 16.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.456 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 89.8 t80 -116.96 157.01 26.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' TYR . 22.8 mt-10 -38.08 95.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.826 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 140.38 -99.56 0.25 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.541 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -131.69 167.67 19.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.2 t -74.33 123.11 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -109.29 121.51 45.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -101.14 142.29 32.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.481 ' CE2' HD21 ' A' ' 100' ' ' LEU . 89.5 m-85 -120.17 89.48 3.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -47.43 141.68 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 64.7 mt -102.0 124.02 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -86.03 -174.98 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 70' ' ' THR . 55.5 m -155.99 138.53 14.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.179 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.414 ' N ' HG22 ' A' ' 69' ' ' THR . 54.7 p -89.46 175.0 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.67 -51.73 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.039 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.97 -69.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.826 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 163.98 45.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.535 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -101.35 124.49 47.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.382 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.2 m -97.74 146.24 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 13.6 p90 -174.74 120.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.479 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 32.8 m -96.5 76.34 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -175.12 169.46 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.413 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -123.67 27.31 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -126.92 -41.15 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -135.98 -175.71 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.579 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 43.3 mtm-85 -139.87 176.36 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -141.73 173.47 11.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.1 p -91.45 -63.08 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.8 p -122.73 172.59 8.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.43 -47.8 82.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 91' ' ' HIS . . . -44.76 -43.2 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -74.42 -35.16 63.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 89' ' ' LEU . 1.6 tt -59.74 -49.23 78.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.463 ' N ' HD21 ' A' ' 89' ' ' LEU . 47.4 t -79.69 -33.69 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.4 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 45.7 t60 -65.48 -59.06 4.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -51.53 -51.19 57.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.491 ' CD2' HD11 ' A' ' 100' ' ' LEU . 12.8 m-70 -52.26 -33.29 41.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 t -52.24 -28.27 18.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.2 m -83.55 -47.01 11.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.059 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.8 p -141.4 144.22 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.456 ' N ' HG22 ' A' ' 103' ' ' THR . . . -51.55 -47.17 63.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.414 ' HB3' ' CE1' ' A' ' 93' ' ' HIS . 31.4 t70 52.6 33.56 13.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.814 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.27 41.52 2.05 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.491 HD11 ' CD2' ' A' ' 93' ' ' HIS . 69.4 mt -140.59 149.67 42.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 0.0 110.897 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 44.4 t -36.69 -45.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.9 t -174.69 143.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.456 HG22 ' N ' ' A' ' 97' ' ' ALA . 1.1 p -43.18 158.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 10.3 mt -91.23 124.15 35.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -106.12 -66.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.417 ' HA ' ' HD2' ' A' ' 107' ' ' PRO . 15.3 m-85 -109.06 108.58 60.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.641 0.734 . . . . 0.0 110.964 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.569 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.3 Cg_endo -69.82 -38.59 7.45 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.687 2.258 . . . . 0.0 112.407 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.094 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 mttm . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.73 0.3 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -45.32 164.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -97.72 -25.06 15.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.789 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.486 ' CE2' HG13 ' A' ' 90' ' ' VAL . 2.2 p-90 -89.25 -29.96 18.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -78.4 110.46 13.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.952 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -103.78 -44.25 5.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.812 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.56 -108.08 3.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 95.53 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.383 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.406 ' O ' ' CZ ' ' A' ' 43' ' ' ARG . 59.8 t -130.24 123.68 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.7 m -66.75 143.82 56.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -43.42 -45.58 6.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.5 m -69.0 -61.28 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.64 -41.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.34 -62.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.075 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.08 -49.88 74.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -51.78 -61.29 2.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' CD2' HD13 ' A' ' 35' ' ' LEU . 2.4 tt -41.22 -43.54 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.9 mt -69.29 -58.67 3.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.5 p -42.24 -49.64 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.7 m -62.53 -49.77 74.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' A' ' 31' ' ' LEU . 37.7 mt -55.25 171.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.9 pt -56.07 179.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -86.33 43.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.64 73.07 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.6 m -145.19 142.14 29.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 107' ' ' PRO . 4.0 p90 -121.76 157.94 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -152.11 156.17 39.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.5 t -124.0 122.13 63.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' CZ ' ' O ' ' A' ' 23' ' ' VAL . 6.4 ptm180 -124.34 179.42 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -116.89 152.69 33.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 m -100.96 124.65 46.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -63.72 -46.69 84.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.5 t -34.09 -50.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 50' ' ' GLY . 1.9 m -122.9 130.06 24.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.703 0.763 . . . . 0.0 110.804 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 8.7 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.729 2.286 . . . . 0.0 112.323 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 48' ' ' SER . . . -154.0 40.82 0.65 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.435 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -128.45 89.95 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.357 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 67' ' ' ILE . 4.4 mm? -83.32 170.34 14.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.2 m -163.21 146.21 10.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.3 mt -105.03 101.56 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 m -94.23 96.74 9.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.477 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -110.8 130.66 55.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -79.78 134.84 36.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.787 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.48 ' CE2' ' HG3' ' A' ' 59' ' ' GLU . 74.8 t80 -157.95 123.64 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 8.1 mt-10 62.9 35.11 13.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.3 39.65 87.72 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.431 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -152.71 147.66 26.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.2 t -100.54 114.55 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.415 ' CE2' HG21 ' A' ' 101' ' ' VAL . 55.3 m-85 -101.53 120.86 40.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -102.87 140.68 36.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.805 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -127.77 100.03 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -55.21 114.66 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.471 ' CG2' ' HB ' ' A' ' 75' ' ' VAL . 17.5 mt -69.49 116.36 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -83.8 178.86 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.2 m -152.67 135.23 15.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 p -93.0 -174.9 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -42.99 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -47.91 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.77 30.92 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.56 135.3 35.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 21.0 m -106.63 134.53 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.447 ' CD1' ' HG2' ' A' ' 82' ' ' ARG . 11.0 p90 -163.54 125.19 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.925 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.484 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 29.1 m -105.01 75.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 t -175.21 169.32 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -120.06 22.34 11.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -114.78 -33.56 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -159.34 173.32 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HG2' ' CD1' ' A' ' 76' ' ' TYR . 99.2 mtt180 -121.02 175.1 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -139.64 130.04 25.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.5 m -53.22 -54.5 35.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.3 p -126.04 171.98 10.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.197 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.9 tp -64.69 -38.84 92.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.55 -37.39 57.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.062 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 33.2 mt-10 -79.82 -21.7 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.466 HD23 ' CG2' ' A' ' 90' ' ' VAL . 1.2 tt -72.22 -40.81 67.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.486 HG13 ' CE2' ' A' ' 18' ' ' TRP . 97.9 t -90.36 -35.29 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -70.45 -35.89 73.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 51.1 t60 -77.97 -40.71 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.552 ' CD2' HD12 ' A' ' 100' ' ' LEU . 4.8 m-70 -67.93 -26.32 65.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.2 p -59.9 -25.11 64.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 53.0 m -86.02 -50.82 6.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.7 p -134.21 145.13 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.467 ' N ' HG21 ' A' ' 103' ' ' THR . . . -64.35 -56.22 15.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 t70 60.42 44.05 12.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 109.97 -28.99 9.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.503 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 93' ' ' HIS . 15.6 mt -63.83 158.37 22.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.6 p -54.12 -37.28 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.165 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.5 t -173.27 149.57 1.78 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.084 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.467 HG21 ' N ' ' A' ' 97' ' ' ALA . 4.4 p -60.52 153.92 22.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.469 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 6.7 mt -89.66 135.69 33.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.424 ' ND1' ' N ' ' A' ' 105' ' ' HIS . 1.1 p-80 -130.36 -62.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 1.4 m-30 -110.83 99.81 43.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.711 0.767 . . . . 0.0 110.929 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.74 -178.38 2.31 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 111.108 179.822 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.6 mttp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -65.77 160.32 23.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 36.8 m -89.59 -43.92 10.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.832 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.5 p-90 -61.98 -41.53 98.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -64.91 126.1 26.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -115.7 -41.48 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.9 -127.46 8.12 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 104.51 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.661 2.241 . . . . 0.0 112.299 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.6 t -139.75 137.08 39.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.7 m -73.18 169.38 17.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.783 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.6 ptt-85 -72.06 -40.01 68.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.9 p -76.24 -38.79 55.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.41 -46.51 82.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' O ' ' CD1' ' A' ' 32' ' ' LEU . . . -58.19 -22.9 53.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -83.38 -43.06 16.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -76.36 -57.45 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tt -41.11 -58.73 1.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 28' ' ' ALA . 82.0 mt -45.37 -50.18 12.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 p -66.13 -30.43 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -71.89 -36.18 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.8 mt -59.95 -75.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.627 ' CD1' ' CD2' ' A' ' 106' ' ' TYR . 6.6 pt -137.19 -175.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.13 -46.18 61.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.966 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.73 95.89 0.15 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.571 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.37 160.39 17.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.909 0.385 . . . . 0.0 110.779 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 3.1 p90 -121.55 134.25 55.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.407 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -134.46 151.37 51.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.6 t -111.31 108.37 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -92.84 173.43 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -129.06 113.83 15.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.4 p -48.08 145.41 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.65 -75.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 t -79.3 62.97 3.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -168.45 163.13 8.52 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.658 0.742 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -162.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.688 2.259 . . . . 0.0 112.308 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.64 65.73 0.81 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -107.09 97.53 7.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.9 mt -85.04 157.34 20.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -152.78 151.54 30.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.9 mt -111.86 99.42 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.229 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.0 m -90.98 104.06 16.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.56 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -116.01 137.0 52.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.62 115.35 27.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -147.22 140.8 25.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 59.56 45.35 13.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.73 38.18 71.77 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.0 mtm-85 -155.19 150.95 27.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -107.94 96.98 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.636 ' CE2' ' CG2' ' A' ' 101' ' ' VAL . 53.5 m-85 -79.86 162.88 24.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.508 ' O ' ' CG ' ' A' ' 65' ' ' TYR . 1.7 p-80 -133.33 170.25 15.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.76 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.508 ' CG ' ' O ' ' A' ' 64' ' ' HIS . 70.1 m-85 -160.78 110.16 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -72.96 114.15 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.833 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.441 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 58.0 mt -71.71 120.37 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -82.64 172.04 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.9 m -149.9 136.12 18.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.6 p -93.5 176.71 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.186 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.13 -55.16 8.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -63.95 -60.06 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 146.72 43.75 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' CD ' ' HA ' ' A' ' 84' ' ' SER . 34.0 mmtm -97.04 122.58 40.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.7 133.79 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.566 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 13.1 p90 -168.68 119.81 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.441 ' CG1' ' HA ' ' A' ' 67' ' ' ILE . 35.3 m -98.88 76.5 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -174.99 171.89 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.45 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -125.45 28.37 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -131.12 -34.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.973 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.5 m -141.11 176.71 8.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.566 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 40.2 mtm-85 -138.94 175.0 9.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -141.17 160.03 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.445 ' HA ' ' CD ' ' A' ' 74' ' ' LYS . 29.6 m -80.33 -63.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.4 p -120.62 178.85 4.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.137 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.93 -43.22 65.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.79 -24.43 2.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -92.24 -33.52 14.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 tt -62.27 -40.02 94.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.47 HG11 ' CE2' ' A' ' 40' ' ' PHE . 72.9 t -86.96 -37.24 11.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -66.94 -33.12 74.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -79.47 -57.75 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.554 ' CD2' HD13 ' A' ' 100' ' ' LEU . 22.5 m-70 -48.96 -31.15 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.3 p -54.28 -35.83 62.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.6 m -76.05 -54.03 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.461 ' CA ' HG22 ' A' ' 103' ' ' THR . 7.7 p -131.77 140.78 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.407 ' N ' HG21 ' A' ' 103' ' ' THR . . . -48.28 -54.05 15.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.4 t0 56.31 32.49 20.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 105.25 31.99 4.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.554 HD13 ' CD2' ' A' ' 93' ' ' HIS . 41.6 mt -129.45 142.72 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.636 ' CG2' ' CE2' ' A' ' 63' ' ' TYR . 4.9 p -35.15 -41.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.7 t -173.99 142.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.461 HG22 ' CA ' ' A' ' 96' ' ' VAL . 41.0 p -49.79 121.89 5.83 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.216 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.56 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 56.7 mt -42.57 111.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -75.25 -73.73 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.627 ' CD2' ' CD1' ' A' ' 36' ' ' ILE . 54.9 m-85 -123.77 120.98 26.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.642 0.734 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.557 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.78 -50.36 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 121.635 0.731 . . . . 0.0 111.051 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 69.1 m-70 -47.92 159.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.1 m -85.4 -41.88 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.8 p-90 -63.11 -46.26 88.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -49.3 119.41 3.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.969 0.414 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -101.29 -43.12 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.831 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.75 -148.67 18.64 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.433 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 100.7 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.395 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -132.41 135.61 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.8 p -86.6 162.01 18.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.6 mtm180 -48.18 -62.04 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.6 m -51.06 -64.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.3 -56.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.96 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.61 -59.31 3.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.061 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -45.5 -47.7 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 31' ' ' LEU . 8.0 t80 -63.55 -64.29 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.457 ' N ' ' CD1' ' A' ' 30' ' ' TYR . 12.4 mt -41.71 -53.54 3.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.429 ' CD2' ' CD2' ' A' ' 41' ' ' LEU . 15.2 mt -60.73 -36.7 79.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.8 t -52.73 -50.5 63.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.8 m -68.4 -45.29 73.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.6 mt -52.81 170.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.3 pt -64.44 176.96 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' CG ' ' N ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -75.31 -48.61 22.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.445 ' N ' ' CG ' ' A' ' 37' ' ' ASN . . . -83.03 58.13 5.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.6 p -126.47 134.14 51.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 18' ' ' TRP . 3.1 p90 -130.88 134.16 46.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.429 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 2.3 pp -131.02 155.84 46.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -115.19 102.62 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.7 ptt85 -97.69 176.9 5.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -115.46 143.5 45.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 m -74.11 151.69 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.9 -32.67 13.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.1 t -44.31 -57.67 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.794 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.0 m -138.63 143.98 40.25 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.7 0.762 . . . . 0.0 110.781 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 150.13 67.64 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.3 -46.61 2.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -57.7 145.34 34.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.984 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.459 ' CB ' HD13 ' A' ' 67' ' ' ILE . 9.6 mt -135.25 165.73 24.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m -151.65 160.15 43.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.449 ' CD1' HD21 ' A' ' 89' ' ' LEU . 87.9 mt -119.09 106.88 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.6 m -108.31 119.52 39.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.8 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.547 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -131.3 138.79 49.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -89.29 141.35 28.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -170.19 119.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.98 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 74.92 27.12 1.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.93 38.41 64.72 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.401 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -146.79 152.55 38.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.82 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.94 108.44 24.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.454 ' CE2' HG22 ' A' ' 101' ' ' VAL . 32.1 m-85 -102.79 117.6 34.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -107.14 141.3 38.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -135.48 106.16 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.462 ' NE ' ' OD1' ' A' ' 68' ' ' ASN . 0.2 OUTLIER -65.45 169.78 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.807 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.477 HD12 ' N ' ' A' ' 67' ' ' ILE . 4.5 mp -108.24 125.03 64.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.462 ' OD1' ' NE ' ' A' ' 66' ' ' ARG . 81.4 m-20 -90.67 132.42 35.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.6 m -108.67 140.52 41.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' ALA . 62.2 p -98.65 165.37 11.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' THR . . . -34.12 -66.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.138 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.07 -60.61 3.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.38 70.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.412 ' CD ' ' HA ' ' A' ' 84' ' ' SER . 30.2 mmtm -122.39 122.47 39.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.315 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.0 m -91.11 133.75 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.527 ' CZ ' ' HG2' ' A' ' 82' ' ' ARG . 30.5 p90 -168.69 131.11 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.483 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 28.5 m -107.17 74.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 t -177.53 133.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.78 4.0 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -92.06 -47.89 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.8 m -140.33 -175.02 4.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.527 ' HG2' ' CZ ' ' A' ' 76' ' ' TYR . 77.6 mtm180 -132.72 173.39 11.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.832 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 89' ' ' LEU . 56.3 m-85 -137.07 -178.16 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.412 ' HA ' ' CD ' ' A' ' 74' ' ' LYS . 19.4 m -104.19 -52.43 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.2 p -123.65 179.94 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.1 tp -74.25 -34.44 63.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.92 79.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -75.11 -42.14 57.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 1.3 tt -53.22 -51.21 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.7 t -74.42 -50.94 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.172 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' A' ' 94' ' ' SER . 79.0 t60 -53.06 -63.09 1.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -38.46 -67.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.505 ' CG ' HD21 ' A' ' 100' ' ' LEU . 22.4 m-70 -41.55 -42.8 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 8.2 t -34.8 -41.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 73.8 m -73.3 -63.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.6 p -118.89 141.37 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.158 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.89 79.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.3 t70 46.25 29.42 0.83 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.22 -56.57 0.68 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.546 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.505 HD21 ' CG ' ' A' ' 93' ' ' HIS . 4.4 mp -41.63 151.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.547 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 12.5 p -50.9 -31.6 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.6 t -174.48 135.61 0.43 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 16.0 p -38.85 110.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.204 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.507 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 84.1 mt -41.0 106.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -79.42 -73.31 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -118.05 124.35 28.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.701 0.762 . . . . 0.0 110.975 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.535 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 52.5 Cg_endo -69.83 -49.06 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 111.105 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 16' ' ' HIS . 54.4 mttt . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.809 0.337 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.518 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 5.2 m-70 -34.6 123.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.6 m -66.95 -40.31 87.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.518 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 4.6 p-90 -66.55 -34.26 77.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.411 ' CB ' ' HB2' ' A' ' 16' ' ' HIS . 69.2 t80 -67.62 74.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -82.07 41.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 38.4 -153.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.51 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 136.01 32.02 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.724 2.283 . . . . 0.0 112.386 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' A' ' 27' ' ' ALA . 52.5 t -142.43 146.42 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.439 ' N ' HG12 ' A' ' 23' ' ' VAL . 4.1 m -75.15 154.51 37.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.823 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -48.84 -67.57 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -52.58 -39.54 61.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.457 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . . . -54.2 -64.93 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -37.24 -59.07 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -47.99 -44.02 30.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -66.52 -56.54 10.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mp -39.81 -29.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.03 -54.45 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.974 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m 38.05 37.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 77.2 p 52.7 51.69 15.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.3 mt -42.59 -68.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.568 HD13 ' CD1' ' A' ' 106' ' ' TYR . 6.6 pt -127.58 -177.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' ILE . 4.6 p-10 -34.28 -35.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ILE . . . -171.82 107.46 0.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.498 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.3 m -116.18 155.31 28.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -132.95 164.44 26.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.4 155.48 35.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -122.63 114.53 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -118.95 173.65 6.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -116.4 167.08 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.7 t -106.7 137.58 44.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.2 mt-10 -79.12 174.4 11.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.7 t 34.13 37.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.6 m -141.06 161.94 50.83 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.833 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.436 ' HG2' ' CG ' ' A' ' 51' ' ' GLN . 52.9 Cg_endo -69.83 -162.98 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.07 64.63 1.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.543 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.436 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 8.2 mt-30 -103.43 170.15 8.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.957 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.6 mt -147.39 164.48 33.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.2 t -154.15 140.05 18.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.4 mt -109.17 104.22 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.6 m -100.43 97.91 8.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.585 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -110.69 122.7 48.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 34' ' ' SER . 4.2 tmt_? -93.02 98.59 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.6 ' CE1' ' HG2' ' A' ' 59' ' ' GLU . 8.5 t80 -97.41 155.28 16.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.6 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 2.1 pt-20 -31.77 93.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 146.63 -85.3 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -141.29 176.09 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.6 t -84.81 114.27 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.445 ' CE2' HG22 ' A' ' 101' ' ' VAL . 16.4 m-85 -97.07 160.7 14.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 65' ' ' TYR . 2.6 p80 -138.87 174.15 10.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.49 ' CE2' HD23 ' A' ' 100' ' ' LEU . 82.9 m-85 -158.29 123.84 4.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -84.22 101.82 12.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.455 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 71.3 mt -61.59 106.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -60.86 -178.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -151.97 137.17 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.0 p -107.38 176.63 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.18 92.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 73' ' ' GLY . 4.6 t70 -80.8 43.34 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 72' ' ' ASP . . . 34.6 65.46 0.37 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -118.46 152.78 35.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.828 0.346 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.19 135.38 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.562 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 9.0 p90 -173.99 124.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 33.5 m -104.27 76.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.045 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 1.7 t -175.27 176.66 2.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -128.32 3.91 5.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -94.26 -32.29 13.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -154.54 179.88 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.562 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 78.3 mtm-85 -132.55 165.65 23.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -129.98 158.47 39.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.6 m -85.8 -58.39 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.9 p -120.33 171.27 8.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 89' ' ' LEU . 29.4 tp -61.62 -53.88 50.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 91' ' ' HIS . . . -40.41 -37.4 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -76.32 -33.74 59.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.41 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.1 tt -69.56 -47.26 64.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.464 ' N ' HD22 ' A' ' 89' ' ' LEU . 61.3 t -75.63 -27.52 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 81.7 t60 -78.51 -60.8 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -51.26 -51.13 56.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 7.0 m-70 -51.95 -35.27 45.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -52.7 -27.14 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.807 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.4 m -83.3 -62.27 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.42 ' C ' HG21 ' A' ' 103' ' ' THR . 7.1 p -121.94 136.92 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.459 ' N ' ' CG2' ' A' ' 103' ' ' THR . . . -50.62 -40.98 54.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 t70 46.84 50.04 13.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.83 33.7 9.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.49 HD23 ' CE2' ' A' ' 65' ' ' TYR . 33.6 mt -127.28 154.35 45.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.585 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 6.0 p -49.7 -38.01 12.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.8 t -174.17 140.72 0.7 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.101 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 97' ' ' ALA . 57.0 p -53.56 120.43 6.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 mt -40.37 109.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -79.11 -72.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.568 ' CD1' HD13 ' A' ' 36' ' ' ILE . 40.8 m-85 -130.54 132.72 24.16 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 121.706 0.765 . . . . 0.0 110.88 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -178.21 2.24 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 121.562 0.696 . . . . 0.0 111.115 179.803 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.852 0.358 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.541 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 21.8 m80 -76.66 157.15 32.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.7 m -73.65 -40.79 63.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CZ2' ' CG ' ' A' ' 16' ' ' HIS . 2.9 p-90 -68.32 -38.17 81.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -59.72 104.95 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.976 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.558 ' CD2' ' CB ' ' A' ' 108' ' ' ALA . 4.9 m-70 -116.08 46.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . 35.65 -151.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 125.31 11.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.579 2.186 . . . . 0.0 112.378 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t -135.25 132.42 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.3 t -79.51 152.29 30.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -47.25 -50.82 20.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.2 t -54.67 -49.04 71.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.02 92.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -54.36 47.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -61.69 -51.5 68.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -54.06 -67.53 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 mt -38.89 -52.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 33' ' ' SER . 61.8 mt -59.09 -44.31 91.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' LEU . 3.5 t -36.11 -53.24 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 t -68.39 -48.14 65.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.5 mt -52.23 161.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.5 pt -66.9 157.83 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -76.66 50.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.23 -35.47 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -63.65 156.32 27.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.438 . . . . 0.0 110.791 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 107' ' ' PRO . 5.6 p90 -130.62 174.85 9.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 pp -158.72 152.3 23.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.0 t -112.05 109.75 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.4 ptt85 -102.71 -179.28 3.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -121.0 151.75 39.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.401 ' CB ' ' HB2' ' A' ' 51' ' ' GLN . 1.3 t -67.33 139.26 57.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -94.15 -48.4 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.7 m -47.46 -59.14 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.772 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.0 m -117.01 129.73 25.11 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.634 0.73 . . . . 0.0 110.898 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 130.67 19.75 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.707 2.271 . . . . 0.0 112.327 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.54 -42.11 2.01 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.39 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HB2' ' CB ' ' A' ' 45' ' ' SER . 9.6 mm-40 -61.26 141.15 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 110.841 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.47 ' CB ' HD13 ' A' ' 67' ' ' ILE . 11.2 mt -126.59 159.4 33.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 p -154.81 149.54 26.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.5 mt -104.88 103.38 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -92.59 106.23 18.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -113.43 129.36 56.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -80.28 138.52 36.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.536 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 41.6 t80 -169.25 148.46 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.024 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 43.5 43.38 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.11 38.61 77.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.562 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -142.31 168.36 19.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.6 t -123.14 91.86 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.499 ' CD2' HG22 ' A' ' 101' ' ' VAL . 84.9 m-85 -81.46 149.8 28.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -125.42 135.54 52.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.427 ' OH ' ' CG2' ' A' ' 101' ' ' VAL . 97.2 m-85 -122.93 85.02 2.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 156.87 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.472 HD12 ' N ' ' A' ' 67' ' ' ILE . 3.1 mp -96.86 133.31 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -105.52 136.79 44.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.8 m -114.6 142.75 46.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 p -100.11 171.86 7.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -38.68 -62.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.71 -61.29 2.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 142.8 65.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -122.0 130.26 53.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.4 m -92.97 140.63 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.525 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 3.3 p90 -173.29 123.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -100.13 75.93 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -175.46 174.25 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -126.31 -2.39 6.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -91.76 -44.56 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -135.57 -175.02 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.525 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 69.2 mtm-85 -136.01 171.49 14.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -137.68 171.63 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -100.76 -48.01 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.4 p -129.51 164.58 23.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.65 -52.13 64.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.96 -46.71 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -68.76 -34.52 75.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.555 ' C ' ' CD2' ' A' ' 89' ' ' LEU . 2.4 tt -61.96 -47.3 85.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.419 HG12 ' CD1' ' A' ' 104' ' ' LEU . 99.3 t -79.73 -50.62 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 94' ' ' SER . 5.0 t60 -52.13 -60.49 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.821 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -43.88 -47.15 8.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -85.2 31.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 54.1 p -97.94 -14.21 20.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 53.9 m -108.07 -41.73 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.107 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.471 ' CA ' HG22 ' A' ' 103' ' ' THR . 14.3 p -118.97 145.39 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -84.21 13.18 5.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -55.62 82.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 131.11 -39.16 1.82 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.7 mt -102.17 172.23 7.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.343 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.536 ' CG1' ' CD2' ' A' ' 58' ' ' TYR . 55.8 t -63.55 -49.35 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.0 t -144.1 149.31 36.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.042 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.471 HG22 ' CA ' ' A' ' 96' ' ' VAL . 21.9 p -52.82 125.82 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 25.2 mt -64.74 85.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.493 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 1.7 p-80 -88.94 -54.4 4.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.798 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.493 ' CE1' ' HB2' ' A' ' 105' ' ' HIS . 0.7 OUTLIER -119.37 99.25 50.3 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.636 0.732 . . . . 0.0 110.908 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 53.4 Cg_endo -69.8 -172.27 0.56 Allowed 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.709 2.273 . . . . 0.0 112.337 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.558 ' CB ' ' CD2' ' A' ' 20' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.745 0.307 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.517 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 18.5 m-70 -69.23 125.77 27.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.766 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 m -55.84 -48.15 75.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.517 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 2.7 p-90 -63.5 -43.93 95.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.478 ' CB ' ' HB2' ' A' ' 16' ' ' HIS . 32.4 t80 -61.32 118.5 6.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -105.96 -58.84 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.56 -116.81 3.69 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 91.2 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.638 2.225 . . . . 0.0 112.35 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.6 t -123.24 120.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.9 t -65.97 144.96 56.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 -44.51 -45.61 9.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -66.43 -55.07 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.56 -42.09 55.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.13 -54.48 30.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -70.13 -53.02 19.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -48.52 -59.1 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.948 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tt -43.6 -49.16 7.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.1 mt -53.95 -45.95 71.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 t -41.17 -55.85 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -54.67 -47.39 73.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.9 mt -63.78 156.4 27.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.526 HD11 ' CD2' ' A' ' 106' ' ' TYR . 7.8 pt -51.56 168.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -80.46 44.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.3 51.43 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.8 m -129.41 149.77 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.935 0.398 . . . . 0.0 110.813 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 107' ' ' PRO . 2.7 p90 -122.49 155.6 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 pp -144.8 152.74 40.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.6 t -115.87 113.68 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.8 ptt85 -112.42 172.72 6.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -122.0 158.83 28.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -86.81 132.32 33.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.801 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' SER . 9.9 tm-20 -73.17 -58.65 3.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' GLU . 26.6 t -36.49 -62.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 t -126.52 135.21 26.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.651 0.739 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 172.98 11.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.632 2.221 . . . . 0.0 112.312 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.24 -43.92 2.57 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.74 122.46 15.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.7 mt -122.03 170.4 9.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.0 m -160.33 141.61 12.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.1 mt -100.42 99.54 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.5 m -96.97 105.28 17.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.534 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -119.8 134.56 55.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -93.03 129.93 38.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 5.8 t80 -152.43 117.41 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 68.63 41.09 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.59 36.2 92.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -144.2 141.39 29.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.4 t -104.44 111.31 33.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -98.01 127.53 44.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -106.54 127.72 53.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.424 ' CE1' HD23 ' A' ' 100' ' ' LEU . 91.2 m-85 -115.86 87.17 2.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -60.7 103.03 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.468 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 4.8 mp -54.14 133.16 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.425 ' N ' HG22 ' A' ' 67' ' ' ILE . 66.7 m-20 -90.95 156.24 18.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.1 m -136.3 138.35 41.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.3 p -103.54 173.37 6.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.102 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -37.57 -61.09 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.47 -54.85 40.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 135.15 38.49 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -89.31 121.82 31.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.6 m -87.92 132.63 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.517 ' CG ' ' HG2' ' A' ' 82' ' ' ARG . 19.5 p90 -169.71 114.27 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 67' ' ' ILE . 33.5 m -94.39 75.25 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -176.79 157.1 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.56 34.49 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -130.3 -43.98 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -140.32 175.24 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.517 ' HG2' ' CG ' ' A' ' 76' ' ' TYR . 75.6 mtm-85 -132.16 168.29 18.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -127.61 161.5 28.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.9 p -85.21 -54.34 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.856 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.7 p -127.34 164.68 21.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.105 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 89' ' ' LEU . 21.5 tp -56.84 -54.2 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -37.34 -48.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -69.06 -35.38 76.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 86' ' ' LEU . 8.9 tt -57.64 -50.4 73.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 95.0 t -77.39 -45.47 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -56.13 -55.53 31.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.792 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -51.05 -49.07 61.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.553 ' CD2' HD13 ' A' ' 100' ' ' LEU . 17.4 m-70 -59.25 -54.53 45.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.756 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 93' ' ' HIS . 25.2 p -35.21 -34.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.815 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' HIS . 41.6 m -81.27 -53.6 6.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.469 ' CA ' HG21 ' A' ' 103' ' ' THR . 11.8 p -130.47 132.37 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 103' ' ' THR . . . -44.48 -47.76 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.8 t70 52.78 39.12 28.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.65 40.09 4.8 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.398 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.553 HD13 ' CD2' ' A' ' 93' ' ' HIS . 37.9 mt -134.26 153.13 52.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.365 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.534 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 8.6 p -40.74 -41.93 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.416 ' N ' HG12 ' A' ' 101' ' ' VAL . 7.4 t -173.59 148.69 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.231 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.469 HG21 ' CA ' ' A' ' 96' ' ' VAL . 36.4 p -55.0 125.95 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 29.5 mt -62.12 98.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -98.48 -51.42 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.526 ' CD2' HD11 ' A' ' 36' ' ' ILE . 55.1 m-85 -111.18 98.99 41.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.568 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.3 Cg_endo -69.78 -170.74 0.41 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.713 2.275 . . . . 0.0 112.272 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 111.024 179.849 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.6 mptt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.81 0.338 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.471 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 51.5 m-70 -87.94 151.02 23.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.9 m -69.27 -36.89 77.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 4.9 p-90 -75.49 -37.63 60.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -62.32 97.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.53 ' CD2' ' HB2' ' A' ' 108' ' ' ALA . 4.7 m-70 -109.6 45.53 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . 36.73 -156.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 118.42 5.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.299 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.3 t -128.0 124.42 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m -51.11 138.42 20.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -47.25 -41.7 19.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.801 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -66.42 -53.28 37.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.09 -53.93 36.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.23 -52.31 4.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.042 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -62.94 -54.13 43.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -44.05 -48.71 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 tp -60.15 -50.06 75.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.75 -29.17 69.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.5 t -80.15 -1.48 40.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.1 p -120.82 20.39 11.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.4 mt -132.45 -177.32 4.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 pt -51.81 172.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -93.71 34.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.77 37.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -110.21 157.45 19.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 107' ' ' PRO . 17.8 p90 -134.87 164.76 26.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 pp -147.63 157.73 43.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.4 t -124.91 101.93 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -91.57 179.52 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -139.21 147.88 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.9 t -90.82 149.93 21.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 47' ' ' SER . 23.3 tt0 -102.25 -29.67 11.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' GLU . 11.2 m -36.75 -57.22 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.7 m -131.93 139.19 34.31 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.579 0.705 . . . . 0.0 110.941 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 84.49 0.65 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.799 2.333 . . . . 0.0 112.315 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.63 40.71 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -132.16 144.2 50.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.3 mt -141.88 164.06 31.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.8 m -158.28 137.75 11.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.82 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.426 ' CD1' HD22 ' A' ' 89' ' ' LEU . 27.1 mt -100.62 127.59 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -125.24 109.29 12.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.55 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -119.64 137.64 53.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HD3' ' CA ' ' A' ' 60' ' ' GLY . 1.9 tmm_? -83.33 139.16 33.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -150.35 123.79 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 53.9 30.91 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.424 ' CA ' ' HD3' ' A' ' 57' ' ' ARG . . . 91.7 -36.17 3.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.449 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -80.11 144.9 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.7 t -98.95 134.19 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.682 ' CD2' ' CG2' ' A' ' 101' ' ' VAL . 51.9 m-85 -111.32 139.25 46.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.446 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 20.4 p80 -115.68 145.32 42.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.47 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 4.3 m-85 -139.13 110.1 6.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -73.62 135.17 43.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 67' ' ' ILE . 2.7 mp -82.88 138.89 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -109.97 128.95 55.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.2 m -112.68 134.29 54.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.7 p -91.18 172.03 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -39.22 -68.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -52.97 -70.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.06 77.3 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -132.58 112.94 12.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.0 m -83.54 138.39 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 17.8 p90 -173.56 116.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.401 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 27.8 m -92.93 76.47 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -175.06 173.51 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.439 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -127.41 29.92 5.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -134.71 -39.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -131.68 177.12 7.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.807 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 33.1 mtm-85 -140.56 176.73 8.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.95 156.5 45.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.1 m -72.29 -63.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.7 p -124.55 -175.64 3.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.66 -48.41 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 91' ' ' HIS . . . -46.0 -44.53 15.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.006 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -71.93 -26.2 62.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 54' ' ' ILE . 10.2 tt -68.3 -50.67 51.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.8 t -81.33 -31.99 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 68.1 t60 -70.73 -43.94 67.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -70.25 -53.82 15.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -50.13 -37.71 35.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.6 p -48.04 -19.96 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.2 m -88.33 -73.49 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.462 ' CA ' HG22 ' A' ' 103' ' ' THR . 8.2 p -112.26 138.86 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.404 ' N ' ' CG2' ' A' ' 103' ' ' THR . . . -47.76 -54.56 11.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.8 t0 51.7 29.03 5.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 134.85 -61.75 0.63 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.566 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.47 ' HG ' ' CE2' ' A' ' 65' ' ' TYR . 7.8 mp -46.28 140.25 4.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.682 ' CG2' ' CD2' ' A' ' 63' ' ' TYR . 3.4 t -33.6 -39.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.4 t -169.93 145.14 2.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.462 HG22 ' CA ' ' A' ' 96' ' ' VAL . 65.5 p -43.32 151.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.557 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 4.0 mt -79.67 95.45 5.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -64.02 -68.88 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -129.74 133.4 25.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.573 0.702 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.57 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.69 -169.19 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.695 2.264 . . . . 0.0 112.323 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.53 ' HB2' ' CD2' ' A' ' 20' ' ' HIS . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.494 0.664 . . . . 0.0 111.16 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 mttm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.801 0.334 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.47 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 15.0 m80 -69.83 157.85 36.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.6 p -75.05 -43.02 55.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.47 ' CZ2' ' CG ' ' A' ' 16' ' ' HIS . 13.5 p-90 -66.66 -25.21 66.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -77.82 98.93 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -86.93 -54.56 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.6 -116.83 5.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 90.52 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.42 143.62 40.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ARG . 39.0 m -93.98 137.77 32.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . 21.5 ttm180 -34.62 -55.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -53.37 -54.43 36.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.64 -43.43 62.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.14 -64.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -44.95 -51.66 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' LEU . 4.2 t80 -54.74 -63.65 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -36.1 -68.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.015 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.2 mt -38.9 -41.51 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.976 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 30' ' ' TYR . 4.3 t -49.21 -59.93 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.4 m -44.18 -45.82 8.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.782 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.1 mt -79.21 178.19 8.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.0 pt -73.34 166.93 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -55.85 -39.79 71.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.0 64.97 4.14 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -137.41 142.26 41.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.994 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' A' ' 107' ' ' PRO . 28.5 p90 -128.79 167.7 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 42' ' ' VAL . 1.6 pp -153.89 155.63 36.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.425 ' N ' HD12 ' A' ' 41' ' ' LEU . 95.3 t -119.89 105.33 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 44' ' ' GLU . 46.9 ptt85 -117.62 178.09 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 5.4 tm-20 -100.97 142.5 32.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -53.38 136.2 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -75.16 -44.37 47.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.3 t -70.25 -70.53 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.807 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.6 m -75.76 119.15 75.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.87 132.1 22.45 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.05 -41.38 3.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -53.84 120.77 6.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.8 mt -76.32 167.17 22.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.0 t -165.38 135.44 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.7 mt -101.15 141.22 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.3 m -139.35 119.1 13.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.813 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.489 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -131.0 148.32 52.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.471 ' CD ' HG23 ' A' ' 62' ' ' VAL . 4.0 mmt85 -88.24 127.68 35.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.583 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 14.7 t80 -132.15 119.93 21.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.989 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 63.18 25.22 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.448 ' O ' ' CD ' ' A' ' 57' ' ' ARG . . . 99.33 -44.34 1.7 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 -73.33 155.55 39.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.471 HG23 ' CD ' ' A' ' 57' ' ' ARG . 92.4 t -92.83 142.42 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.605 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 5.1 m-85 -124.67 164.48 19.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.996 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.428 ' C ' ' CG ' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -140.13 167.1 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.552 ' CE2' ' HA ' ' A' ' 100' ' ' LEU . 5.7 m-85 -157.45 112.4 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.943 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -74.68 133.92 42.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 68' ' ' ASN . 3.6 mp -82.71 135.29 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.45 ' N ' HG23 ' A' ' 67' ' ' ILE . 84.0 m-20 -111.78 148.53 33.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.2 146.6 44.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.23 -59.28 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -151.88 150.8 30.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 47.86 38.51 9.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.4 28.58 64.92 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -67.76 121.49 16.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.8 m -107.86 140.49 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.455 ' CG ' ' O ' ' A' ' 76' ' ' TYR . 19.9 p90 -168.25 118.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.44 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 34.5 m -97.27 75.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.177 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 t -176.4 165.81 2.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.099 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -119.53 32.39 6.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.581 ' HB2' ' HD2' ' A' ' 98' ' ' ASP . 18.4 mt-10 -135.03 -38.63 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 p -134.15 177.39 7.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -140.98 177.88 7.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -146.59 176.88 9.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.3 p -94.39 -60.8 1.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.3 p -129.6 177.03 7.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' ALA . 13.4 tp -61.48 -57.23 13.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -36.25 -38.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.049 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.74 -44.18 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.567 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 3.4 tt -50.54 -42.5 55.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.457 ' N ' HD22 ' A' ' 89' ' ' LEU . 74.2 t -81.76 -62.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.431 ' O ' ' CB ' ' A' ' 94' ' ' SER . 3.7 t-80 -47.22 -61.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -47.61 -57.93 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.792 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 2.6 m-70 -44.11 -36.12 2.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 7.8 t -37.8 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' HIS . 77.8 m -86.15 -58.65 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.105 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 97' ' ' ALA . 12.4 p -109.08 146.53 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -88.26 15.02 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.581 ' HD2' ' HB2' ' A' ' 80' ' ' GLU . 15.6 t0 -47.06 88.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 124.2 -49.79 0.89 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.422 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.552 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . 7.5 mp -90.71 147.61 23.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.605 ' CG1' ' CD2' ' A' ' 63' ' ' TYR . 20.6 m -45.6 -40.18 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.438 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 13.8 t -150.51 147.99 28.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.457 ' N ' ' HB2' ' A' ' 97' ' ' ALA . 66.7 p -53.17 134.3 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.515 HD23 ' CG ' ' A' ' 40' ' ' PHE . 78.4 mt -52.44 114.18 1.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -80.2 -67.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -138.19 135.15 18.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.663 0.744 . . . . 0.0 110.902 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.546 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.82 -177.95 2.14 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.388 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.54 0.686 . . . . 0.0 111.063 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.539 ' ND1' ' CZ2' ' A' ' 18' ' ' TRP . 31.5 m170 -47.22 168.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -100.19 -11.56 20.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.813 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.539 ' CZ2' ' ND1' ' A' ' 16' ' ' HIS . 3.7 p-90 -103.84 -27.1 12.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -81.23 111.81 17.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.975 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.555 ' CD2' ' HB1' ' A' ' 108' ' ' ALA . 7.6 m-70 -116.18 36.79 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 52.94 -157.12 4.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 102.79 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.637 2.225 . . . . 0.0 112.384 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.2 t -112.98 130.85 66.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.164 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ARG . 17.2 m -60.73 124.6 20.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' SER . 2.9 ptp85 -34.58 -38.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 t -69.78 -55.03 10.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.8 -47.88 64.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.56 -69.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.103 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.477 ' HG2' ' CG1' ' A' ' 62' ' ' VAL . 46.1 mt-10 -46.55 -21.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.3 -67.96 0.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.1 tp -46.77 -50.14 18.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.0 mt -39.84 -66.76 0.27 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' SER . 10.7 t -59.7 -57.57 12.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' SER . 24.2 p -35.74 -47.75 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.72 -75.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 pt -143.55 -176.19 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.9 30.86 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.57 100.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -153.22 155.3 36.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.879 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 107' ' ' PRO . 2.9 p90 -131.78 146.82 52.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 42' ' ' VAL . 2.4 pp -144.83 160.84 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.433 ' N ' HD12 ' A' ' 41' ' ' LEU . 75.8 t -115.6 106.85 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.7 ptt85 -97.67 156.28 16.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.586 ' HE2' ' HA ' ' A' ' 49' ' ' PRO . 6.1 tm-20 -118.1 156.04 29.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.5 m -83.27 138.51 33.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -88.47 -59.33 2.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 61.7 p -45.19 -49.28 12.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 29.0 m -126.16 102.57 27.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.586 ' HA ' ' HE2' ' A' ' 44' ' ' GLU . 54.2 Cg_endo -69.81 119.11 6.11 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.656 2.237 . . . . 0.0 112.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 136.78 -16.62 3.74 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -95.44 87.93 4.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.876 0.37 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 52' ' ' LEU . 4.2 mm? -73.31 162.77 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.3 t -154.84 138.93 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.5 mt -111.02 107.89 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 m -105.71 105.22 15.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.55 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -113.36 138.72 49.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 2.4 mmm180 -81.91 132.34 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.653 ' CD2' ' CG2' ' A' ' 101' ' ' VAL . 89.0 t80 -156.27 121.59 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 61.39 42.59 11.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.15 35.95 91.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -145.82 162.55 37.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.477 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 71.9 t -116.39 114.8 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.524 ' CZ ' HG23 ' A' ' 101' ' ' VAL . 93.4 m-85 -96.02 127.22 41.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -100.75 134.23 44.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.474 ' CZ ' HD22 ' A' ' 100' ' ' LEU . 73.0 m-85 -129.95 105.47 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.33 124.76 24.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mp -74.59 122.08 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.229 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -86.47 174.63 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.8 m -153.9 134.77 13.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.6 p -87.62 168.37 13.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.61 -43.69 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.3 -69.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.4 66.64 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -120.17 121.19 38.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.5 m -92.76 129.74 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.44 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 26.6 p90 -167.27 117.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 32.9 m -95.85 74.85 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 t -176.9 146.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.196 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.42 8.54 43.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.11 -47.94 5.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 t -138.17 -179.88 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 -127.13 170.02 12.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -138.41 152.58 48.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.1 p -75.44 -57.86 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.1 p -125.68 -176.3 3.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 10.2 tp -73.34 -49.41 27.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.39 -30.56 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.069 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.19 -26.34 23.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.459 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.3 OUTLIER -69.93 -42.12 73.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.457 ' N ' HD21 ' A' ' 89' ' ' LEU . 75.6 t -83.18 -37.55 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -69.27 -51.83 33.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -60.83 -41.47 95.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 4.7 m-70 -63.81 -39.87 95.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.3 p -46.71 -29.76 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.2 m -87.58 -61.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.2 p -111.03 143.34 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.425 ' N ' HG23 ' A' ' 103' ' ' THR . . . -73.97 -44.82 53.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 t0 57.12 35.36 26.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.26 -28.68 9.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.575 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.474 HD22 ' CZ ' ' A' ' 65' ' ' TYR . 18.3 mt -57.69 148.38 24.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.653 ' CG2' ' CD2' ' A' ' 58' ' ' TYR . 3.7 p -43.08 -40.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.052 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.474 ' CG2' HD12 ' A' ' 56' ' ' LEU . 10.3 t -171.49 148.05 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 97' ' ' ALA . 75.4 p -64.05 128.25 34.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.487 HD13 ' CE1' ' A' ' 40' ' ' PHE . 26.6 mt -48.81 138.7 10.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.979 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.486 ' CD2' ' H ' ' A' ' 106' ' ' TYR . 4.1 p-80 -118.59 -67.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.486 ' H ' ' CD2' ' A' ' 105' ' ' HIS . 0.9 OUTLIER -118.37 111.25 38.41 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.681 0.753 . . . . 0.0 110.926 -179.829 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 54.5 Cg_endo -69.82 -179.09 2.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.555 ' HB1' ' CD2' ' A' ' 20' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 mttm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.797 0.332 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.504 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 12.6 m80 -57.35 159.43 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.1 m -82.06 -43.96 17.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.504 ' CZ2' ' CG ' ' A' ' 16' ' ' HIS . 1.1 p-90 -60.43 -47.61 85.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -38.74 121.37 1.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -105.48 -42.76 5.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.96 -156.66 15.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 90.98 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.298 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 24' ' ' SER . 95.9 t -117.22 151.03 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.465 ' N ' HG13 ' A' ' 23' ' ' VAL . 17.3 m -100.9 145.86 28.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . 16.2 ptt180 -34.9 -42.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -72.17 -65.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.97 -37.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.63 -66.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -47.32 -41.25 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -67.82 -36.98 81.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.14 -54.79 28.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.77 -32.39 43.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -45.99 -35.34 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.2 t -89.64 32.43 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.0 mt -143.86 177.45 8.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 pt -82.06 159.42 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -76.37 51.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.756 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.84 -33.68 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -62.0 158.08 17.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.926 0.393 . . . . 0.0 110.883 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 107' ' ' PRO . 18.8 p90 -131.65 163.34 28.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 pp -141.09 155.82 46.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.4 t -126.48 102.42 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -105.84 173.1 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 45' ' ' SER . 20.8 tt0 -124.68 112.25 16.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' GLU . 43.5 t -36.55 128.89 0.79 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.6 OUTLIER -75.31 -50.24 16.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' GLU . 58.7 m -34.66 -53.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.0 t -130.37 135.5 27.52 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 153.32 69.18 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.695 2.264 . . . . 0.0 112.387 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.56 -49.65 3.18 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -53.99 129.83 35.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 110.975 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 67' ' ' ILE . 32.4 mt -118.15 166.93 11.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.6 p -158.99 131.38 6.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.932 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.2 mt -102.8 96.8 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.07 97.13 10.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.543 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -106.55 122.15 45.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.8 108.73 20.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 59' ' ' GLU . 8.3 t80 -114.86 155.09 27.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.597 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 2.0 pt-20 -30.76 95.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 146.72 -88.91 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.442 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -145.45 175.72 10.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.981 0.42 . . . . 0.0 110.773 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.4 t -79.1 128.24 38.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.54 ' CE2' HG23 ' A' ' 101' ' ' VAL . 16.6 m-85 -117.83 123.97 47.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -109.23 144.15 37.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -127.91 95.95 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -66.15 85.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.458 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 4.3 mp -37.44 137.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -91.02 173.06 8.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.9 m -147.51 137.47 22.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.4 p -92.57 175.47 6.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.8 -43.37 58.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -67.55 -59.76 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.96 37.92 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -90.54 177.48 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -137.72 134.28 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 12.6 p90 -172.14 120.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.458 ' CG1' ' HA ' ' A' ' 67' ' ' ILE . 17.7 m -101.18 76.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -175.22 170.38 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.405 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -123.39 30.8 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -131.0 -38.8 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 m -140.1 178.6 7.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.579 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 74.4 mtm-85 -135.87 177.73 7.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -143.04 158.13 43.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.9 m -80.62 -57.83 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.8 p -121.75 177.64 5.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 89' ' ' LEU . 17.2 tp -69.53 -56.32 7.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.39 -35.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 46.9 mm-40 -74.77 -35.93 62.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 86' ' ' LEU . 2.8 tt -65.06 -47.92 75.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.435 ' N ' HD23 ' A' ' 89' ' ' LEU . 55.4 t -71.34 -49.56 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -60.83 -48.72 80.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.469 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 65.2 t60 -55.92 -56.67 17.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.466 ' CD2' HD12 ' A' ' 100' ' ' LEU . 18.8 m-70 -45.55 -36.33 4.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.4 p -40.4 -30.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 m -84.96 -46.82 10.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.404 HG22 ' CG ' ' A' ' 98' ' ' ASP . 14.6 p -128.76 144.97 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.161 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -84.44 12.08 7.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.404 ' CG ' HG22 ' A' ' 96' ' ' VAL . 24.3 m-20 -38.48 92.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 107.0 -45.79 1.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 100' ' ' LEU . 7.3 mp -76.64 162.82 27.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.894 0.378 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.54 HG23 ' CE2' ' A' ' 63' ' ' TYR . 1.1 p -59.06 -39.84 79.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.436 ' N ' ' CG1' ' A' ' 101' ' ' VAL . 5.1 t -169.15 146.9 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.213 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.6 p -37.86 108.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.435 HD11 ' CZ ' ' A' ' 40' ' ' PHE . 78.4 mt -40.1 133.77 1.66 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -105.99 -68.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -120.15 116.49 32.5 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.752 . . . . 0.0 110.942 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.559 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.71 -42.86 3.09 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.411 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.667 0.746 . . . . 0.0 110.985 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -63.11 160.43 15.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -86.49 -41.48 14.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -68.31 -34.55 76.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -66.37 101.77 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.512 ' CD2' ' HB2' ' A' ' 108' ' ' ALA . 4.0 m-70 -105.5 39.52 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 37.7 -155.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 112.94 3.2 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 27' ' ' ALA . 55.8 t -117.9 151.65 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' ARG . 7.4 p -80.4 144.42 32.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' SER . 1.9 mpp_? -37.52 -59.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ALA . 2.3 m -57.15 -57.74 11.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.462 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . . . -37.29 -40.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.58 -59.86 4.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -56.94 -50.44 72.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.58 -67.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tp -46.38 -32.32 3.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.4 ' HB3' ' CG ' ' A' ' 57' ' ' ARG . 20.7 mt -74.6 -40.96 61.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.7 t -47.38 -58.11 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -55.0 -51.73 65.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.9 mt -47.86 155.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.2 pt -61.44 -178.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -86.87 48.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.88 31.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.413 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.9 m -112.66 144.62 41.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 107' ' ' PRO . 11.7 p90 -131.69 154.33 49.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.8 152.15 38.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -114.9 126.1 72.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.6 ptt85 -128.86 -176.68 3.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -115.46 124.5 51.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.9 p -66.07 125.5 25.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -80.9 165.89 21.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.7 t 58.36 42.54 21.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -154.39 156.57 31.82 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.59 0.71 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 82.38 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.67 2.247 . . . . 0.0 112.316 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 46.21 51.15 11.9 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -96.89 156.48 16.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.457 ' HB2' ' CD1' ' A' ' 67' ' ' ILE . 4.8 mt -130.51 164.36 25.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.1 t -158.5 143.67 16.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.461 ' CD1' HD22 ' A' ' 89' ' ' LEU . 17.7 mt -100.06 129.81 50.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -121.14 109.7 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.548 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -118.82 146.31 44.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.4 ' CG ' ' HB3' ' A' ' 32' ' ' LEU . 4.0 mmm180 -88.72 122.23 31.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.45 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 32.9 t80 -132.96 133.89 43.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.426 ' HG2' ' CD2' ' A' ' 58' ' ' TYR . 8.4 pt-20 36.38 38.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.88 49.35 29.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -146.88 156.05 42.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.8 0.334 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.5 t -107.99 92.6 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.503 ' CG ' HG13 ' A' ' 101' ' ' VAL . 76.4 m-85 -86.62 124.72 33.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.33 123.08 47.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.48 100.07 7.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -55.5 145.2 23.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' A' ' 77' ' ' VAL . 95.9 mt -103.48 118.63 50.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -93.11 138.29 31.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.8 m -113.51 137.83 51.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.8 p -90.57 170.15 10.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.59 -66.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.013 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -53.1 -54.78 30.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 137.84 62.32 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.431 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -116.3 132.5 56.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.2 m -100.4 140.9 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.467 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 10.5 p90 -171.2 118.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 67' ' ' ILE . 34.0 m -100.19 75.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 1.3 t -175.81 172.03 2.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -125.86 18.36 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -110.89 -31.6 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -156.3 174.43 15.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.408 ' HB2' ' NH1' ' A' ' 82' ' ' ARG . 26.7 mtm105 -127.14 158.75 36.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -122.22 163.79 18.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.7 m -85.35 -56.97 3.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.7 p -123.73 176.24 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.209 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' ALA . 11.6 tp -65.6 -56.78 10.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -34.11 -53.86 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -64.04 -54.58 31.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.551 ' C ' ' CD2' ' A' ' 89' ' ' LEU . 2.7 tt -38.97 -52.9 1.79 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.95 -55.47 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -52.02 -67.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -40.15 -56.06 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 95' ' ' THR . 3.0 m-70 -49.87 -39.53 39.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.7 m -44.15 -22.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.838 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 93' ' ' HIS . 71.4 m -88.67 -42.27 12.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.32 144.9 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.167 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -80.53 12.42 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.189 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -49.62 87.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 126.86 -47.23 1.03 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.552 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.4 mt -90.47 174.25 7.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.953 0.406 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.503 HG13 ' CG ' ' A' ' 63' ' ' TYR . 3.4 m -71.45 -28.23 31.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.455 ' N ' HG23 ' A' ' 101' ' ' VAL . 13.7 t -162.1 154.41 19.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.5 p -56.7 132.0 50.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.446 HD21 ' CG ' ' A' ' 40' ' ' PHE . 89.9 mt -55.6 109.13 0.51 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -78.25 -65.26 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -137.13 133.34 18.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.692 0.758 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.559 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.71 -176.1 1.36 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.731 2.287 . . . . 0.0 112.323 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.512 ' HB2' ' CD2' ' A' ' 20' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.714 0.769 . . . . 0.0 111.072 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.848 0.356 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -46.13 149.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.792 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 m -72.72 -49.47 30.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.5 p-90 -64.74 -41.88 95.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -62.52 113.81 3.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.542 ' CD2' ' HB3' ' A' ' 108' ' ' ALA . 4.7 m-70 -123.14 42.78 3.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . 36.77 -153.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 124.57 11.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.318 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.407 ' CG1' ' HB1' ' A' ' 27' ' ' ALA . 70.3 t -131.78 124.21 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 m -52.57 143.28 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -45.54 -56.6 4.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.9 p -57.34 -45.72 84.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.407 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -55.81 -47.43 77.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.59 -59.19 5.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.413 ' HG2' ' CG2' ' A' ' 62' ' ' VAL . 37.3 mt-10 -56.8 -54.98 40.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -51.94 -50.39 61.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 mt -53.82 -43.6 69.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 33' ' ' SER . 37.7 mt -67.18 -54.97 16.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' LEU . 60.0 p -34.16 -44.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -66.66 -49.24 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' LEU . 34.0 mt -71.27 157.01 38.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.508 ' CD1' ' N ' ' A' ' 38' ' ' GLY . 2.6 pp -59.0 154.89 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -75.68 47.46 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.808 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.508 ' N ' ' CD1' ' A' ' 36' ' ' ILE . . . -138.55 -18.08 0.56 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.554 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -88.61 160.69 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 110.824 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' A' ' 104' ' ' LEU . 29.5 p90 -129.52 173.01 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 pp -154.2 150.05 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.24 102.09 12.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -107.58 156.91 18.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -108.16 135.46 49.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.4 t -58.67 145.12 41.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -64.53 136.88 57.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.7 m 53.41 39.29 29.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 m -131.55 85.21 53.18 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.697 0.761 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 108.48 2.1 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.665 2.243 . . . . 0.0 112.415 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.37 -53.2 0.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -58.54 149.9 24.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.365 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt -145.36 170.11 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.2 m -150.74 134.09 16.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.2 mt -98.9 96.21 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.1 m -91.93 86.93 6.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.529 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -100.61 132.57 45.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.92 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -88.2 131.56 34.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -153.35 117.79 4.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 68.22 37.44 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.87 46.15 92.36 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.4 mtp85 -153.16 147.21 25.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.413 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 21.7 t -101.42 114.7 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.486 ' CE2' HG21 ' A' ' 101' ' ' VAL . 35.2 m-85 -108.43 127.84 54.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -106.94 148.18 28.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.476 ' CE2' HD21 ' A' ' 100' ' ' LEU . 91.7 m-85 -134.05 106.47 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -66.74 86.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.465 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 5.3 mp -43.01 99.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -60.35 154.02 21.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.62 146.47 39.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 p -103.52 114.03 27.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 51.75 25.01 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 t0 73.56 47.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.963 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.03 -99.57 0.32 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.447 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -56.72 155.12 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.51 ' CG2' ' N ' ' A' ' 86' ' ' LEU . 27.1 m -132.9 143.3 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 4.8 p90 -175.1 132.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 67' ' ' ILE . 34.5 m -103.76 73.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.165 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 2.6 t -178.67 167.1 1.76 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.02 -12.33 11.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -80.29 -46.94 15.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.0 p -130.72 -173.65 3.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 46.8 mtm180 -137.99 176.35 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 82' ' ' ARG . 43.1 m-85 -148.7 141.62 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.431 ' C ' HG22 ' A' ' 85' ' ' THR . 3.3 t -57.72 -58.48 8.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.431 HG22 ' C ' ' A' ' 84' ' ' SER . 21.1 p -141.57 175.06 9.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.51 ' N ' ' CG2' ' A' ' 75' ' ' VAL . 11.2 tp -47.0 -54.15 10.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -35.81 -51.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -72.12 -37.65 69.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.552 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 6.0 tt -57.54 -47.58 81.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 82.1 t -81.26 -36.59 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.182 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -68.18 -67.27 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -41.77 -50.49 4.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.784 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 11.2 m-70 -58.36 -44.38 88.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' HIS . 23.0 t -33.31 -37.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 93' ' ' HIS . 49.1 m -76.02 -52.4 10.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' HIS . 7.2 p -132.57 138.73 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 103' ' ' THR . . . -49.58 -41.85 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.496 ' HB3' ' CE1' ' A' ' 93' ' ' HIS . 8.0 t70 51.78 39.17 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.08 38.34 4.88 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.481 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.476 HD21 ' CE2' ' A' ' 65' ' ' TYR . 27.5 mt -131.38 147.67 52.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.954 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.529 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 9.3 p -39.18 -34.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.2 t -175.49 153.86 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 97' ' ' ALA . 3.7 p -62.34 142.1 57.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 17.7 mt -87.23 96.69 10.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -117.96 -24.01 7.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -112.47 80.77 3.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.549 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 55.1 Cg_endo -69.69 146.53 60.91 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.409 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.542 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 111.104 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 63.3 m-70 -77.15 145.75 37.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.814 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 m -63.99 -49.79 71.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.78 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.2 p-90 -60.36 -34.37 73.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -68.29 118.25 11.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -97.02 -48.95 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 132.3 -152.77 20.31 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.468 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 90.47 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.636 2.224 . . . . 0.0 112.404 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.45 HG12 ' CB ' ' A' ' 28' ' ' ALA . 89.9 t -122.38 135.47 62.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' SER . 24.8 t -86.63 137.14 32.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -33.36 -35.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' SER . 2.3 m -74.34 -51.34 15.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' SER . . . -60.09 -45.17 93.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.195 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.45 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -50.0 -70.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' ALA . 7.3 mt-10 -37.6 -47.52 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.11 -48.67 80.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.21 -45.97 91.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' A' ' 41' ' ' LEU . 4.2 mt -58.46 -42.91 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.3 t -43.0 -45.02 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.6 m -69.97 -48.79 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.783 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.1 mt -45.1 158.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.4 pt -45.5 169.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.186 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -82.21 43.73 0.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.73 66.18 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.449 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.4 p -131.71 148.6 52.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.382 . . . . 0.0 110.897 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' A' ' 104' ' ' LEU . 3.6 p90 -121.48 128.86 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.44 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 1.5 pp -126.34 156.97 39.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.8 t -122.04 106.12 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.4 ptt85 -94.41 179.46 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -140.44 164.7 29.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -108.25 136.29 48.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' SER . 19.5 mt-10 -82.13 -62.25 1.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' GLU . 7.2 t -34.59 -63.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.7 m -99.35 127.6 34.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.605 0.717 . . . . 0.0 110.836 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 162.43 42.11 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.48 42.62 26.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.454 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -123.14 92.48 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.7 mt -102.55 169.84 8.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.2 m -159.65 138.02 10.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.9 mt -101.66 86.94 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.0 m -83.81 96.71 8.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.766 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.618 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -108.04 137.77 45.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.939 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.423 ' HD3' ' CG2' ' A' ' 62' ' ' VAL . 6.4 mmm180 -96.44 139.1 33.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 60' ' ' GLY . 35.9 t80 -153.49 157.66 40.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' TYR . 19.1 mt-10 -34.47 93.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 146.56 -105.15 0.32 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.524 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.17 172.47 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.423 ' CG2' ' HD3' ' A' ' 57' ' ' ARG . 66.6 t -69.26 122.52 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CE2' ' CG2' ' A' ' 101' ' ' VAL . 11.4 m-85 -109.36 144.4 37.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -130.08 165.62 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -144.23 118.96 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.43 ' NE ' ' OD1' ' A' ' 68' ' ' ASN . 3.9 tmm_? -79.1 120.08 23.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.414 HG13 ' CG1' ' A' ' 77' ' ' VAL . 5.1 mp -77.05 128.2 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.43 ' OD1' ' NE ' ' A' ' 66' ' ' ARG . 48.1 m-20 -121.75 160.69 24.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.06 177.93 4.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.4 p -118.15 -75.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -124.65 -74.54 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.36 -60.59 2.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -176.61 34.6 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -86.81 111.17 20.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.386 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 m -77.11 146.99 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 76' ' ' TYR . 7.9 p90 -165.74 113.94 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.442 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 34.5 m -99.55 75.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 t -176.21 169.22 2.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.84 29.29 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -133.78 -40.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.9 p -132.35 -175.7 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -142.71 163.78 31.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -136.65 159.36 42.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.823 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.2 m -72.47 -65.41 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.9 p -125.53 174.16 8.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' ALA . 12.9 tp -60.32 -54.49 45.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -33.81 -48.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -74.8 -42.48 58.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 89' ' ' LEU . 4.2 tt -51.27 -41.7 60.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.468 HG12 ' CE1' ' A' ' 40' ' ' PHE . 57.8 t -82.65 -53.35 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 94' ' ' SER . 63.3 t60 -58.15 -64.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.77 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 91' ' ' HIS . 4.0 t60 -36.98 -55.12 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 95' ' ' THR . 5.7 m-70 -60.6 -34.9 74.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.812 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 91' ' ' HIS . 7.6 t -36.34 -33.86 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 93' ' ' HIS . 63.6 m -80.83 -53.89 6.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.471 HG21 ' N ' ' A' ' 97' ' ' ALA . 14.4 p -122.67 144.6 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -86.7 15.46 5.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -40.87 91.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 96.23 29.68 8.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' ALA . 82.6 mt -146.01 174.2 11.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.618 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 7.4 p -72.39 -38.13 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.6 t -172.2 138.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.444 HG22 ' CA ' ' A' ' 96' ' ' VAL . 21.6 p -42.35 126.15 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.593 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 71.8 mt -56.69 96.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -65.56 -71.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -125.58 132.61 24.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.514 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 52.5 Cg_endo -69.8 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.655 2.236 . . . . 0.0 112.345 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.659 0.742 . . . . 0.0 111.137 179.77 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 p -153.74 114.17 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.829 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -129.8 151.04 50.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.86 103.25 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.477 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 p -172.29 110.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -136.32 147.6 47.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.88 140.68 30.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.449 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.0 p -118.35 143.84 33.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 0.0 111.164 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -30.38 22.59 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.692 2.262 . . . . 0.0 112.378 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.438 HG11 ' N ' ' A' ' 11' ' ' ASN . 99.6 t -53.5 135.98 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.438 ' N ' HG11 ' A' ' 10' ' ' VAL . 18.1 p-10 -88.12 144.8 26.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 m -141.24 158.24 44.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.38 37.71 3.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 25.2 mp0 -116.2 81.29 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 16' ' ' HIS . 3.5 mmmm -90.86 -62.16 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 15' ' ' LYS . 36.6 m-70 -34.51 142.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 50.2 m -68.44 -47.52 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.455 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 1.3 p-90 -66.19 -43.22 87.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.438 ' CB ' ' HB2' ' A' ' 16' ' ' HIS . 28.0 t80 -58.31 125.33 22.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -131.71 40.28 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 41.93 -153.33 0.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.552 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 122.59 9.27 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.8 t -140.44 127.16 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.16 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -57.63 140.72 50.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 6.2 tmm_? -40.68 -50.11 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.3 t -62.69 -49.65 74.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.05 -45.43 8.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.79 -59.53 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -51.61 -49.62 61.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -57.88 -65.49 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 tt -42.59 -45.76 4.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 mt -51.33 -37.38 47.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.6 t -56.83 -25.56 56.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.3 t -90.67 35.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.795 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.5 mt -151.74 173.82 14.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.524 HD11 ' CD2' ' A' ' 106' ' ' TYR . 49.2 pt -70.39 176.73 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -84.66 43.65 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.36 39.53 0.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -110.96 142.5 42.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 107' ' ' PRO . 2.8 p90 -131.87 127.8 37.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 42' ' ' VAL . 2.3 pp -124.05 160.54 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.419 ' N ' HD12 ' A' ' 41' ' ' LEU . 99.1 t -120.8 103.09 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.4 ptt85 -93.76 160.93 14.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -131.48 128.21 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -79.96 153.03 29.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -91.65 -53.71 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.6 m -40.62 -70.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.1 t -67.37 140.56 95.21 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.645 0.735 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 108.93 2.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.13 65.52 3.46 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.517 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.24 105.1 13.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.6 mt -97.54 168.94 10.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.9 t -168.81 136.33 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.7 mt -103.36 107.29 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -114.31 103.24 10.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.514 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -105.82 135.67 46.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.894 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -82.43 140.22 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.52 ' CD2' HG22 ' A' ' 102' ' ' THR . 4.5 t80 -161.6 128.13 3.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 4.7 tt0 50.16 40.45 21.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.45 38.29 93.39 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -145.01 149.36 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.353 . . . . 0.0 110.893 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.3 t -113.4 106.56 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -86.47 115.99 24.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -88.76 137.71 32.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -131.19 82.18 2.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.45 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -61.93 104.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.475 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 4.6 mp -57.67 126.57 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -85.17 175.41 8.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.6 m -140.47 135.09 31.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 75.8 p -92.42 165.54 13.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.81 -48.73 10.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.114 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -64.93 -62.99 1.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.77 43.39 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -103.99 164.71 11.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.436 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 17.3 m -123.67 135.83 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.428 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 11.5 p90 -167.8 123.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 67' ' ' ILE . 34.2 m -106.35 74.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -177.52 166.55 2.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.11 3.78 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -89.85 -45.58 9.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.35 -174.93 4.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -131.47 165.71 22.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -128.9 156.24 44.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.7 p -73.84 -62.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.8 p -122.43 176.08 6.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' LEU . 17.7 tp -63.43 -54.91 29.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.986 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -37.65 -46.45 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -68.91 -35.79 77.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 86' ' ' LEU . 7.4 tt -58.32 -48.35 80.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.481 HG12 ' CE2' ' A' ' 40' ' ' PHE . 93.7 t -79.54 -39.95 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -59.04 -61.82 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -53.66 -53.81 46.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 12.2 m-70 -52.82 -47.45 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' HIS . 35.6 t -35.44 -40.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.1 m -74.11 -59.02 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.5 p -125.34 136.97 59.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.47 71.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 t70 51.81 40.21 27.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.85 -49.83 0.87 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.44 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.3 mt -48.45 173.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 102' ' ' THR . 10.6 p -70.03 -32.22 50.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.52 HG22 ' CD2' ' A' ' 58' ' ' TYR . 64.0 p -159.01 -176.25 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.3 p -95.64 109.81 22.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 40.7 mt -47.02 101.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -110.76 -53.0 2.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.524 ' CD2' HD11 ' A' ' 36' ' ' ILE . 25.1 m-85 -104.66 93.04 5.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.713 0.768 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.572 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.76 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -159.5 151.76 17.41 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.554 0.693 . . . . 0.0 111.099 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.476 ' O ' ' C ' ' A' ' 110' ' ' LYS . 54.6 Cg_endo -69.78 179.05 3.98 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.613 2.208 . . . . 0.0 112.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 109' ' ' PRO . 20.5 mttt 31.92 47.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 26.8 p -62.63 128.27 35.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.48 129.63 53.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -96.26 -44.56 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.0 m -107.48 120.75 43.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -130.59 -171.3 12.88 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 179.82 3.45 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.1 t -98.34 153.03 18.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.76 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.7 p -171.81 135.92 0.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 66.63 42.96 2.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.346 . . . . 0.0 110.861 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -145.13 127.11 15.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.16 -137.03 2.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m 55.0 45.67 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.926 0.393 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -110.91 127.51 55.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.48 57.77 3.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.409 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 40.1 p -103.03 96.54 8.1 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.608 0.718 . . . . 0.0 111.138 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' C ' HG11 ' A' ' 10' ' ' VAL . 53.8 Cg_endo -69.74 -38.13 8.27 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.412 HG11 ' C ' ' A' ' 9' ' ' PRO . 29.3 m -149.96 142.72 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -170.43 132.66 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m -85.96 91.58 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mt -117.99 81.88 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.994 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 45.58 44.75 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -48.62 -53.64 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -66.32 157.51 31.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -79.47 -44.89 20.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.756 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -66.58 -37.75 85.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -70.49 102.91 2.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.406 ' NE2' ' HB1' ' A' ' 108' ' ' ALA . 4.0 m-70 -107.2 40.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 43.71 -156.85 0.16 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.543 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 121.42 8.1 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.761 2.307 . . . . 0.0 112.247 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.464 ' CG1' ' HB1' ' A' ' 27' ' ' ALA . 95.7 t -136.2 131.9 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.5 t -60.42 150.83 29.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -51.18 -66.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.0 p -44.44 -41.1 5.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -58.26 -57.95 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.06 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.22 -58.59 2.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -46.74 -56.33 6.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -55.77 -43.3 76.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.73 -34.26 72.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 mt -70.77 -44.34 66.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 p -56.37 -27.29 55.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -87.68 34.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.1 mt -149.44 165.78 31.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.4 HD12 ' CD2' ' A' ' 106' ' ' TYR . 35.2 pt -52.34 177.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -85.25 44.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.25 51.06 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.559 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 m -116.86 148.23 41.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.901 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.495 ' CG ' HD22 ' A' ' 104' ' ' LEU . 8.4 p90 -127.46 148.48 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.28 153.23 41.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.2 t -118.17 128.28 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.052 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 -122.86 -179.23 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -154.1 140.11 18.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.486 ' CB ' ' CD ' ' A' ' 51' ' ' GLN . 9.5 t -79.65 150.49 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -87.09 -56.68 3.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 m -79.85 60.39 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -160.86 156.26 21.25 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.59 0.71 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.2 Cg_endo -69.82 86.98 0.57 Allowed 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.679 2.253 . . . . 0.0 112.315 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' PRO . . . 34.68 52.12 0.8 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.486 ' CD ' ' CB ' ' A' ' 45' ' ' SER . 7.9 pt20 -75.8 167.3 22.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' C ' HD12 ' A' ' 67' ' ' ILE . 96.0 mt -156.41 143.03 18.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.8 m -149.23 142.48 25.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CD1' HD21 ' A' ' 89' ' ' LEU . 68.0 mt -104.91 111.58 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 m -108.74 122.15 46.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.556 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -128.8 143.11 50.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.5 tpp85 -83.68 111.48 19.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.557 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 47.6 t80 -126.09 111.83 15.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 63.95 39.22 8.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.89 -5.25 25.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.575 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -103.15 152.88 20.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.4 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.1 t -100.65 126.08 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 58' ' ' TYR . 94.2 m-85 -115.95 124.38 50.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.944 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.438 ' ND1' ' C ' ' A' ' 64' ' ' HIS . 1.5 p80 -102.67 143.8 31.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -134.99 103.99 5.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 66' ' ' ARG . 2.5 mmm180 -63.91 143.03 58.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.428 HG13 ' CG1' ' A' ' 77' ' ' VAL . 4.4 mp -95.14 119.74 43.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -88.08 127.0 35.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.2 m -103.44 145.91 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.9 p -102.89 173.09 6.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.84 -54.29 5.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -65.8 -66.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.04 46.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -98.49 130.14 45.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.905 0.384 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.469 HG22 ' N ' ' A' ' 86' ' ' LEU . 0.9 OUTLIER -97.76 138.2 23.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.415 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 15.2 p90 -171.32 122.03 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.428 ' CG1' HG13 ' A' ' 67' ' ' ILE . 21.3 m -98.6 76.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.086 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -174.55 172.03 3.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.424 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -125.96 29.43 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -128.31 -29.96 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 t -153.82 -175.6 5.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.4 mtm105 -135.21 173.66 11.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -137.35 144.29 42.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.424 ' C ' HG23 ' A' ' 85' ' ' THR . 1.0 OUTLIER -50.34 -65.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.424 HG23 ' C ' ' A' ' 84' ' ' SER . 29.2 p -142.17 171.4 14.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.469 ' N ' HG22 ' A' ' 75' ' ' VAL . 10.3 tp -43.7 -52.24 6.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.958 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.34 -58.86 1.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.189 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.86 -38.57 91.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.464 HD21 ' CD1' ' A' ' 54' ' ' ILE . 5.1 tt -55.37 -61.45 2.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.87 -46.53 88.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -58.09 -66.45 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -44.82 -44.65 9.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.797 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -52.72 -39.88 62.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -40.63 -38.85 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.0 m -78.14 -60.82 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 p -123.5 142.87 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.32 -61.92 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.5 t0 47.81 51.16 14.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 138.02 -67.96 0.52 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.5 mp -53.03 -178.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.368 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.512 HG13 ' CG ' ' A' ' 63' ' ' TYR . 2.8 m -82.02 -28.33 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.111 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.2 t -161.53 154.54 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.8 p -58.15 125.77 24.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.232 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.495 HD22 ' CG ' ' A' ' 40' ' ' PHE . 70.8 mt -55.24 114.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -82.88 -60.04 2.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.4 ' CD2' HD12 ' A' ' 36' ' ' ILE . 49.0 m-85 -139.57 135.24 16.74 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.795 0.807 . . . . 0.0 110.857 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.477 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.77 -164.63 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.664 2.242 . . . . 0.0 112.307 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.406 ' HB1' ' NE2' ' A' ' 20' ' ' HIS . . . -76.06 162.26 72.28 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.638 0.732 . . . . 0.0 111.101 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 135.51 30.55 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.594 2.196 . . . . 0.0 112.332 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -66.07 110.41 2.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.7 m -131.06 34.85 3.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -117.02 86.18 2.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.24 53.73 2.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.5 t -53.61 148.12 10.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.24 146.52 14.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -32.52 18.34 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.297 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.5 t -110.37 143.93 39.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.7 m -93.54 99.64 12.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.231 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 m -160.13 137.24 9.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -153.37 138.5 17.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.45 -157.51 8.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -173.31 151.74 2.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -132.84 172.42 12.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.798 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.43 87.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 p -69.89 121.86 84.13 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.539 0.685 . . . . 0.0 111.133 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -20.85 34.56 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.369 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.2 m 37.76 36.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -102.01 -57.61 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.7 p 45.3 36.05 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mt -86.68 43.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -75.73 48.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -97.26 -47.22 5.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.49 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 12.5 m-70 -41.76 147.44 0.2 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.9 t -72.95 -47.43 45.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.49 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 1.9 p-90 -59.29 -43.04 92.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -59.23 137.62 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -124.18 -51.83 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.93 -156.28 22.79 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 86.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.362 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.6 t -101.74 137.62 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.217 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.5 m -70.11 164.68 23.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -56.59 -66.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -56.88 -44.45 82.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.63 -53.67 17.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.9 -60.45 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -53.58 -52.57 59.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -42.9 -69.93 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -38.95 -52.0 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.008 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.3 mt -55.35 -43.82 75.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -43.37 -42.43 4.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.8 m -70.56 -47.59 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.795 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.3 mt -59.42 173.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.99 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.9 pt -84.47 -175.82 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -67.47 -50.13 60.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.16 62.46 2.57 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.405 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -138.89 160.38 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.803 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CE2' ' HA ' ' A' ' 107' ' ' PRO . 3.1 p90 -158.9 159.81 35.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 pp -152.48 160.16 43.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.48 104.58 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 -95.24 155.68 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -119.66 148.28 43.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -78.01 147.08 35.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -85.4 -70.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 61.3 p -73.88 -58.7 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -41.48 162.78 0.12 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.731 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -162.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.274 . . . . 0.0 112.251 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.68 65.08 1.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -112.2 86.95 2.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mp -84.07 167.66 16.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.6 t -162.08 142.02 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.4 mt -99.84 104.21 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.2 m -93.89 100.75 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 58' ' ' TYR . 0.5 OUTLIER -109.65 137.0 48.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 100.36 11.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.47 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 92.7 t80 -111.26 157.23 20.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -38.45 96.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 140.74 -98.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.451 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 60' ' ' GLY . 2.8 mpt_? -133.32 166.51 22.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.832 0.349 . . . . 0.0 110.832 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.75 122.72 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -106.06 144.07 33.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -124.19 124.17 41.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.447 ' OH ' ' CG2' ' A' ' 101' ' ' VAL . 62.1 m-85 -100.28 101.29 12.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -67.49 105.2 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.436 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 3.5 mp -56.36 133.63 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -92.35 154.18 18.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.825 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.4 m -136.96 131.79 33.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.2 p -91.56 -177.22 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.81 -55.57 32.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.73 -61.3 2.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.73 59.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -117.89 140.31 49.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.77 0.319 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.7 m -108.67 132.16 57.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.154 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.435 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 27.1 p90 -167.07 121.53 1.04 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.436 ' CG1' ' HA ' ' A' ' 67' ' ' ILE . 29.7 m -99.81 75.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.044 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -176.65 148.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.05 12.17 37.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -99.02 -46.81 5.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -142.79 177.43 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.909 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.435 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 38.8 mtm-85 -125.37 161.38 27.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.465 ' CD2' ' HA ' ' A' ' 89' ' ' LEU . 48.4 m-85 -125.82 169.24 12.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.4 m -98.81 -41.92 7.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.4 p -128.92 161.49 29.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.176 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 87' ' ' ALA . 29.4 tp -60.05 -53.55 56.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -35.79 -41.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -71.31 -47.41 56.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.543 ' C ' ' CD2' ' A' ' 89' ' ' LEU . 1.6 tt -48.66 -35.82 14.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.5 t -90.78 -44.85 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.498 ' O ' ' CB ' ' A' ' 94' ' ' SER . 7.3 t-160 -64.82 -60.71 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.808 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -39.15 -49.55 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.407 ' CE1' ' O ' ' A' ' 98' ' ' ASP . 65.4 m-70 -83.98 33.67 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 25.7 t -99.2 -12.81 20.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -103.89 -36.48 7.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.447 ' CA ' HG21 ' A' ' 103' ' ' THR . 7.7 p -130.53 156.66 42.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -92.33 13.57 18.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' CE1' ' A' ' 93' ' ' HIS . 22.6 m-20 -54.82 83.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 128.17 -32.79 3.33 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.0 mt -107.58 173.56 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.342 . . . . 0.0 110.921 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.447 ' CG2' ' OH ' ' A' ' 65' ' ' TYR . 13.0 t -64.68 -50.85 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.6 t -140.94 161.81 36.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.447 HG21 ' CA ' ' A' ' 96' ' ' VAL . 0.9 OUTLIER -67.12 111.15 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.052 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.54 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 51.6 mt -46.45 112.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -113.75 -60.63 1.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -104.29 93.89 6.23 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-O 121.663 0.744 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.566 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 54.2 Cg_endo -69.78 -31.57 20.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.347 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -174.47 150.58 1.48 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.643 0.735 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 149.64 67.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -106.44 -15.85 14.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.4 t -162.21 173.04 14.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -98.68 -47.96 5.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -107.03 141.91 37.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 m -119.67 -56.76 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 127.41 145.8 6.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.447 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -40.66 5.04 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.6 p -80.66 126.56 31.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.8 p -100.12 -46.11 5.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.796 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.529 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.5 m -162.02 173.53 14.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -122.84 169.33 11.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.69 -166.11 16.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 m -146.87 174.98 11.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 110.929 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -118.45 -62.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.94 -164.18 25.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.7 p -123.18 120.68 27.26 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.528 0.68 . . . . 0.0 111.207 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.77 -39.21 6.76 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.741 2.294 . . . . 0.0 112.344 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' ASN . 11.1 m -57.87 128.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' VAL . 26.7 m-20 -35.63 140.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -140.49 125.18 18.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.14 57.5 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -100.81 90.45 4.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -95.9 -38.98 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -68.56 152.83 44.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.2 m -80.84 -33.89 34.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -78.17 -33.19 50.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -68.23 88.73 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.01 -61.02 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.1 -101.98 1.68 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.386 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 82.86 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.249 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.6 t -120.56 131.14 73.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.0 t -80.54 152.63 28.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.77 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -42.46 -60.26 1.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.9 t -57.08 -54.69 43.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.49 -51.61 6.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.3 -58.28 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.27 -59.17 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -44.18 -63.83 0.8 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.18 -53.72 2.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' SER . 57.5 mt -51.54 -59.07 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' LEU . 23.1 t -35.29 -49.47 0.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.9 m -57.25 -47.58 81.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' LEU . 11.2 mt -59.71 -178.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.571 HD12 ' CD2' ' A' ' 106' ' ' TYR . 30.1 pt -75.72 170.03 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -79.14 52.47 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.834 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.53 39.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.504 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -112.66 158.44 20.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 7.8 p90 -131.31 155.49 47.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -145.56 159.97 42.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.5 t -128.89 116.82 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -117.76 160.54 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -94.69 138.69 32.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.0 t -60.08 148.96 33.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.98 -45.53 49.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.5 p -47.16 -65.61 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 50' ' ' GLY . 72.5 m -129.07 143.46 48.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.732 . . . . 0.0 110.883 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.87 8.96 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 48' ' ' SER . . . -98.68 -46.36 2.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -61.01 157.71 14.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 67' ' ' ILE . 24.3 mt -142.61 168.85 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.9 t -157.02 141.74 16.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.4 mt -102.93 98.34 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.185 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 m -93.68 97.95 10.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.491 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 0.6 OUTLIER -115.68 144.22 44.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -93.77 142.72 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -167.55 128.91 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 51.9 43.2 30.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.94 36.17 92.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -140.04 152.25 46.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.2 t -116.55 101.27 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.554 ' CE2' HG23 ' A' ' 101' ' ' VAL . 99.2 m-85 -85.55 143.24 28.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.431 ' H ' ' CD2' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -126.43 109.95 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.838 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.544 ' CE2' HD22 ' A' ' 100' ' ' LEU . 28.4 m-85 -96.77 110.48 22.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -76.68 93.27 3.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.431 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 5.4 mp -48.14 111.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.164 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -75.18 164.71 26.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.3 m -137.81 136.45 37.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.6 p -89.03 176.27 7.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.93 78.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.039 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.45 -53.61 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 135.85 53.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -116.66 150.96 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.8 m -114.03 139.7 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 5.8 p90 -173.06 122.45 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.484 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 32.7 m -105.51 76.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 1.7 t -175.31 176.7 1.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -128.12 4.65 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -95.73 -33.67 12.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m -155.49 -175.04 5.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 27.9 mtm-85 -132.11 170.74 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -137.98 160.13 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.4 p -79.78 -61.94 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.7 p -120.24 175.04 6.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 89' ' ' LEU . 10.7 tp -67.31 -49.41 64.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.64 -43.77 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.205 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -75.49 -34.75 60.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 1.5 tt -58.81 -46.41 87.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.433 HG12 ' CE2' ' A' ' 40' ' ' PHE . 38.4 t -77.56 -47.42 26.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 94' ' ' SER . 51.4 t60 -56.01 -67.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 91' ' ' HIS . 8.2 t60 -36.61 -58.71 0.71 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 25.8 m-70 -49.9 -37.49 31.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' HIS . 12.0 t -43.34 -29.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.4 m -84.11 -54.07 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.0 p -132.69 136.57 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.449 ' N ' HG21 ' A' ' 103' ' ' THR . . . -56.71 -44.43 81.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 30.9 t70 61.07 25.99 15.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.4 4.23 27.05 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.548 HD13 ' CD2' ' A' ' 93' ' ' HIS . 17.9 mt -90.07 142.51 27.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.554 HG23 ' CE2' ' A' ' 63' ' ' TYR . 4.8 p -33.82 -36.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.042 0.448 . . . . 0.0 111.202 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 100' ' ' LEU . 13.5 t -173.76 149.64 1.6 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.151 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.449 HG21 ' N ' ' A' ' 97' ' ' ALA . 4.7 p -61.7 134.16 56.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 4.6 mt -77.36 88.87 3.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -110.91 -16.68 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.571 ' CD2' HD12 ' A' ' 36' ' ' ILE . 69.6 m-85 -127.43 84.38 63.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.69 0.757 . . . . 0.0 110.886 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.84 -177.42 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -89.19 143.64 31.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.677 0.751 . . . . 0.0 111.045 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 154.18 68.03 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.674 2.249 . . . . 0.0 112.468 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -76.27 113.8 14.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.9 t -81.99 -56.59 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -101.18 85.64 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -65.81 148.23 52.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.1 m -118.28 92.26 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -40.61 153.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 117' ' ' SER . 53.7 Cg_endo -69.82 -33.95 15.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.26 . . . . 0.0 112.276 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 116' ' ' PRO . 78.4 p -36.26 123.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.833 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.7 p -105.79 135.83 46.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.51 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 57.07 40.64 28.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.815 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -89.42 -51.33 5.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.09 130.0 2.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.569 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -122.66 93.98 4.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.932 0.396 . . . . 0.0 110.809 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -165.56 134.24 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.74 -174.29 44.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 p -86.84 141.98 33.98 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.677 0.751 . . . . 0.0 111.071 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -40.32 5.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.642 2.228 . . . . 0.0 112.295 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -93.03 152.0 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -108.33 103.74 12.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.4 p -51.35 96.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 15' ' ' LYS . 3.9 pp -101.81 -13.0 17.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -55.93 83.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 13' ' ' LEU . 13.8 mmtp -69.91 -36.16 75.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -73.53 158.38 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.9 m -83.89 -39.16 20.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -73.38 -27.94 61.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -75.68 111.72 11.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -116.32 40.88 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 41.58 -157.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.524 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 93.9 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 27' ' ' ALA . 91.0 t -94.88 136.67 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' ARG . 47.6 t -66.68 136.12 55.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' SER . 16.7 ttt85 -36.71 -65.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.787 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.3 t -47.11 -50.01 20.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.457 ' HB2' ' CG1' ' A' ' 23' ' ' VAL . . . -52.74 -52.94 54.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.089 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.11 -40.06 3.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -83.11 -21.99 33.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' ALA . 37.0 t80 -74.24 -54.25 8.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.85 -53.49 48.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.5 -36.43 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -60.31 -28.79 68.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.0 t -98.59 27.81 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.808 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.476 HD12 ' CD ' ' A' ' 109' ' ' PRO . 81.3 mt -141.82 161.23 38.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -49.2 162.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -80.56 50.7 1.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.61 31.83 0.18 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.429 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -108.59 141.53 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.822 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.534 ' CE1' ' HA ' ' A' ' 107' ' ' PRO . 4.6 p90 -121.27 155.66 34.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.86 157.86 43.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 t -127.27 108.13 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -103.77 178.58 4.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -132.14 121.37 23.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -56.28 135.92 53.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -83.54 165.77 18.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m 40.78 42.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.6 p -132.99 146.43 61.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.726 0.774 . . . . 0.0 110.783 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.8 87.58 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.236 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 43.63 55.91 5.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.46 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -111.59 123.34 50.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.0 mt -112.9 170.21 8.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.4 m -164.45 151.23 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.9 mt -114.38 126.97 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.076 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.1 m -119.98 113.05 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.54 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -120.69 144.39 48.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -91.39 137.61 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 61' ' ' ARG . 23.2 t80 -156.15 147.65 22.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' TYR . 5.8 pt-20 35.82 41.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.87 42.83 99.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' TYR . 76.9 mtt180 -148.88 150.11 32.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.6 t -106.5 106.96 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.572 ' CE1' HG22 ' A' ' 101' ' ' VAL . 55.0 m-85 -85.85 155.41 20.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -127.5 144.55 51.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.408 ' OH ' ' CG1' ' A' ' 101' ' ' VAL . 58.0 m-85 -144.68 114.55 7.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -81.04 114.86 20.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.422 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 33.9 mt -68.44 109.62 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -71.85 -175.67 1.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.87 131.78 6.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.463 ' CG2' ' HB2' ' A' ' 74' ' ' LYS . 9.2 t -134.6 -175.41 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 70' ' ' THR . . . -36.19 142.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 62.13 26.12 15.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.784 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 44.72 62.87 2.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.463 ' HB2' ' CG2' ' A' ' 70' ' ' THR . 38.3 mttm -99.11 122.07 41.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.5 m -94.37 137.01 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.542 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 12.0 p90 -174.49 121.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.422 ' CG1' ' HA ' ' A' ' 67' ' ' ILE . 30.7 m -101.28 76.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -174.49 173.11 2.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -127.2 19.51 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.051 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -117.57 -29.24 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 t -153.01 171.36 18.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.542 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 94.1 mtm-85 -129.69 173.68 10.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -138.03 165.58 26.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.6 m -80.23 -60.46 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.1 p -131.22 -177.33 4.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.076 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 89' ' ' LEU . 10.8 tp -64.38 -56.66 12.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.72 -42.23 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -75.48 -35.21 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.819 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.463 HD21 ' N ' ' A' ' 90' ' ' VAL . 7.0 tt -64.01 -48.49 76.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.463 ' N ' HD21 ' A' ' 89' ' ' LEU . 54.5 t -76.4 -29.12 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -70.97 -67.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -45.77 -51.03 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.417 ' CD2' HD11 ' A' ' 100' ' ' LEU . 3.5 m-70 -46.61 -46.23 19.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -44.07 -42.7 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.3 m -71.24 -50.67 30.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.2 p -134.47 139.03 48.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.24 -63.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.5 t70 68.67 38.02 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 116.32 -32.89 5.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.417 HD11 ' CD2' ' A' ' 93' ' ' HIS . 11.9 mt -60.12 158.59 10.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.572 HG22 ' CE1' ' A' ' 63' ' ' TYR . 4.3 p -56.38 -34.91 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.6 t -167.08 155.72 10.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -65.9 110.92 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.22 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 103' ' ' THR . 24.9 mt -35.91 101.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -72.99 -71.07 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -130.37 134.47 26.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.668 0.747 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.534 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.83 -177.35 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.739 2.293 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -77.97 142.49 64.72 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.551 0.691 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.476 ' CD ' HD12 ' A' ' 35' ' ' LEU . 53.9 Cg_endo -69.72 148.64 65.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.752 2.301 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.06 167.13 19.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 27.6 p -147.39 167.19 24.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.78 159.44 15.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -109.0 91.2 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.858 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.7 t -77.11 148.04 36.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.796 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.65 88.25 0.96 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.414 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.9 101.65 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.635 2.223 . . . . 0.0 112.348 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.3 m -70.94 -46.46 62.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.959 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.7 t -132.2 159.04 40.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.3 m -97.37 -47.25 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.4 t -35.61 142.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.79 127.65 0.95 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p -171.8 129.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -162.35 158.62 24.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.21 173.9 39.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.526 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.8 p -138.83 143.71 38.64 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.573 0.701 . . . . 0.0 111.116 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -13.99 35.24 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.0 114.19 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -72.08 121.26 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.0 m -146.38 176.73 9.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -113.3 80.17 1.33 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -96.5 41.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -40.71 -57.44 1.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.446 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 23.1 m-70 -69.4 142.91 53.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.3 m -64.87 -46.76 80.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.788 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.446 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 6.2 p-90 -63.36 -41.0 98.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.05 102.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -89.9 -42.05 11.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.03 -112.82 4.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.401 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 89.78 0.52 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.735 2.29 . . . . 0.0 112.378 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 43' ' ' ARG . 81.9 t -135.35 121.52 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -72.86 174.38 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 26' ' ' SER . 39.8 ptt180 -69.01 -49.06 61.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 50.3 m -68.09 -38.68 82.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.76 -52.01 65.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.96 -59.92 4.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -51.68 -44.65 63.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -59.25 -41.86 89.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -53.54 52.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.992 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.1 mt -45.83 -48.01 15.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.943 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 t -49.34 -43.73 43.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.5 t -65.05 -48.16 74.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 32.5 mt -53.96 176.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.7 pt -68.23 178.42 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -83.34 39.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.55 73.28 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -146.97 150.89 36.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.939 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 104' ' ' LEU . 1.7 p90 -125.99 151.62 46.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 42' ' ' VAL . 1.6 pp -138.42 164.05 30.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.464 ' N ' HD12 ' A' ' 41' ' ' LEU . 98.8 t -131.89 112.68 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.455 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . 31.4 ptt85 -109.71 177.07 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -115.52 130.87 57.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 48' ' ' SER . 59.3 m -70.88 124.24 23.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.79 -56.34 6.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 m -64.57 -34.91 79.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.431 ' HB2' ' CB ' ' A' ' 45' ' ' SER . 24.1 m -97.51 102.94 14.19 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.653 0.739 . . . . 0.0 110.838 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 150.44 68.71 Favored 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.758 2.305 . . . . 0.0 112.318 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 52.69 21.77 10.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.465 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -120.09 137.56 54.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.35 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.1 mt -117.55 167.38 11.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.4 m -146.32 139.74 25.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.6 mt -108.2 88.67 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -84.39 104.28 14.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.523 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -114.76 124.73 52.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' CZ ' ' HA2' ' A' ' 60' ' ' GLY . 10.3 tpt85 -76.01 127.64 33.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.546 ' CD2' HG23 ' A' ' 102' ' ' THR . 42.5 t80 -164.23 136.26 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 4.8 mm-40 62.18 29.52 17.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.427 ' HA2' ' CZ ' ' A' ' 57' ' ' ARG . . . 87.32 -75.34 2.16 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -57.78 144.29 38.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.16 125.61 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.566 ' CD2' HG23 ' A' ' 101' ' ' VAL . 26.5 m-85 -101.24 144.41 30.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 65' ' ' TYR . 1.9 p-80 -124.83 174.99 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 64' ' ' HIS . 95.4 m-85 -160.84 105.4 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -76.65 94.32 3.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.458 ' CG2' ' HB ' ' A' ' 75' ' ' VAL . 3.6 mp -44.02 140.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -97.6 -177.46 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.4 m -157.54 138.99 13.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.7 p -100.44 174.98 5.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.206 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.39 -50.72 9.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.3 -59.53 3.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.2 44.31 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -99.67 122.1 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.458 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 34.3 m -89.98 136.42 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.073 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.427 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 9.9 p90 -172.38 120.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 67' ' ' ILE . 35.6 m -98.19 76.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 t -175.03 170.78 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.15 9.61 9.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.186 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -101.84 -43.64 5.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -142.36 -175.08 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.768 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.4 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 78.3 mtm180 -132.26 178.16 7.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.773 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -145.89 151.7 38.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.425 ' C ' HG23 ' A' ' 85' ' ' THR . 1.1 t -63.45 -64.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.803 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.425 HG23 ' C ' ' A' ' 84' ' ' SER . 14.4 p -135.08 179.07 6.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.454 ' N ' HG23 ' A' ' 75' ' ' VAL . 11.6 tp -54.28 -56.54 17.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -34.17 -47.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -78.27 -38.6 42.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' LEU . 6.8 tt -53.63 -38.47 64.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.41 ' CG1' ' CZ ' ' A' ' 40' ' ' PHE . 96.3 t -89.43 -59.95 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -46.92 -49.53 20.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -61.14 -56.94 14.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.403 ' CD2' HD12 ' A' ' 100' ' ' LEU . 2.8 m-70 -51.62 -31.69 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 t -53.76 -16.29 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 m -92.98 -37.48 12.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 97' ' ' ALA . 14.7 p -139.66 143.75 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -79.77 12.73 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 97' ' ' ALA . 3.9 t0 -37.46 93.15 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 80.8 39.7 13.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 97' ' ' ALA . 28.2 mt -149.86 163.74 37.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.858 0.361 . . . . 0.0 110.982 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.566 HG23 ' CD2' ' A' ' 63' ' ' TYR . 5.8 p -64.69 -40.49 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.546 HG23 ' CD2' ' A' ' 58' ' ' TYR . 4.9 t -165.69 155.58 12.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 105' ' ' HIS . 5.8 p -61.03 109.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.094 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 49.4 mt -38.39 92.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 103' ' ' THR . 15.4 m170 -59.58 -69.6 0.2 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -132.52 135.08 25.61 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.71 0.767 . . . . 0.0 110.903 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.506 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.72 -178.95 2.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.755 2.303 . . . . 0.0 112.347 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.45 146.96 71.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 111.066 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 161.89 44.2 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.283 . . . . 0.0 112.287 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -40.47 161.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.9 t -120.62 -51.98 2.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -120.0 126.72 51.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -122.07 83.23 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.2 p -171.81 123.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -40.42 123.44 2.25 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 159.38 53.62 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.662 2.242 . . . . 0.0 112.384 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.2 m -150.2 131.3 14.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.1 p -144.36 156.14 44.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.487 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -165.03 150.96 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 m -52.55 -56.24 16.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.93 138.51 10.29 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.8 p -155.58 162.17 40.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.946 0.403 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -174.99 146.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.12 -128.15 2.98 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.441 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -166.14 144.29 4.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.687 . . . . 0.0 111.172 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.65 -24.46 30.16 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.756 2.304 . . . . 0.0 112.356 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.9 m -99.33 166.23 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.94 121.51 26.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.97 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.0 m -140.45 129.15 23.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 14' ' ' GLU . 3.3 pp -69.33 -41.78 76.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.471 ' N ' HD12 ' A' ' 13' ' ' LEU . 8.1 tt0 33.24 38.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 13' ' ' LEU . 25.3 mmtt -108.96 33.87 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.416 ' NE2' HD13 ' A' ' 13' ' ' LEU . 88.6 m-70 -94.24 163.47 13.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 5.1 m -86.61 -37.89 17.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.463 ' CA ' ' HB2' ' A' ' 107' ' ' PRO . 1.1 p-90 -78.88 -38.87 36.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -63.14 140.53 58.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -121.77 -33.36 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.28 -147.46 18.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 85.52 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.632 2.221 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.27 149.24 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 27' ' ' ALA . 13.1 t -102.37 143.37 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -38.76 -46.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.814 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 t -65.44 -40.61 93.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.789 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 24' ' ' SER . . . -68.43 -61.82 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.61 -54.99 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -53.86 -41.82 67.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' SER . 2.5 t80 -64.93 -60.35 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.433 ' N ' ' CD2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -41.73 -45.76 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.985 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' CD1' HD22 ' A' ' 41' ' ' LEU . 20.5 mt -77.46 -25.62 50.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.922 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' TYR . 37.2 t -73.47 1.91 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.6 m -121.11 27.22 8.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.7 mt -136.41 -177.35 4.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.2 pt -69.42 -178.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -93.29 39.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.55 52.77 0.42 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.393 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.4 m -135.99 158.32 44.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 107' ' ' PRO . 7.0 p90 -141.11 161.35 38.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.445 HD22 ' CD1' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -149.69 156.27 41.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -122.89 102.58 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -96.97 172.14 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -111.28 122.87 48.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.8 t -39.2 142.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -91.4 -57.94 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.7 t -54.59 -55.64 27.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.799 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 t -94.34 115.96 65.85 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.689 0.757 . . . . 0.0 110.829 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 125.51 12.25 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.676 2.25 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.18 -38.73 3.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -55.73 156.49 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.3 mt -137.51 168.7 19.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 m -162.48 146.14 11.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.0 mt -102.28 99.08 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.9 m -91.59 102.45 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 58' ' ' TYR . 0.5 OUTLIER -104.82 138.42 41.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -96.51 104.45 16.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.456 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 89.8 t80 -116.96 157.01 26.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' TYR . 22.8 mt-10 -38.08 95.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.826 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 140.38 -99.56 0.25 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.541 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -131.69 167.67 19.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.2 t -74.33 123.11 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -109.29 121.51 45.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -101.14 142.29 32.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.481 ' CE2' HD21 ' A' ' 100' ' ' LEU . 89.5 m-85 -120.17 89.48 3.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -47.43 141.68 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 64.7 mt -102.0 124.02 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -86.03 -174.98 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 70' ' ' THR . 55.5 m -155.99 138.53 14.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.179 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.414 ' N ' HG22 ' A' ' 69' ' ' THR . 54.7 p -89.46 175.0 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.67 -51.73 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.039 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.97 -69.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.826 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 163.98 45.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.535 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -101.35 124.49 47.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.382 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.2 m -97.74 146.24 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 13.6 p90 -174.74 120.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.479 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 32.8 m -96.5 76.34 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -175.12 169.46 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -123.67 27.31 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -126.92 -41.15 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -135.98 -175.71 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.579 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 43.3 mtm-85 -139.87 176.36 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -141.73 173.47 11.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.1 p -91.45 -63.08 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.8 p -122.73 172.59 8.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.43 -47.8 82.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 91' ' ' HIS . . . -44.76 -43.2 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -74.42 -35.16 63.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 89' ' ' LEU . 1.6 tt -59.74 -49.23 78.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.463 ' N ' HD21 ' A' ' 89' ' ' LEU . 47.4 t -79.69 -33.69 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.4 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 45.7 t60 -65.48 -59.06 4.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -51.53 -51.19 57.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.491 ' CD2' HD11 ' A' ' 100' ' ' LEU . 12.8 m-70 -52.26 -33.29 41.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 t -52.24 -28.27 18.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.2 m -83.55 -47.01 11.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.059 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.8 p -141.4 144.22 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.456 ' N ' HG22 ' A' ' 103' ' ' THR . . . -51.55 -47.17 63.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.414 ' HB3' ' CE1' ' A' ' 93' ' ' HIS . 31.4 t70 52.6 33.56 13.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.814 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.27 41.52 2.05 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.491 HD11 ' CD2' ' A' ' 93' ' ' HIS . 69.4 mt -140.59 149.67 42.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 0.0 110.897 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 44.4 t -36.69 -45.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.9 t -174.69 143.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.456 HG22 ' N ' ' A' ' 97' ' ' ALA . 1.1 p -43.18 158.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 10.3 mt -91.23 124.15 35.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -106.12 -66.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.417 ' HA ' ' HD2' ' A' ' 107' ' ' PRO . 15.3 m-85 -109.06 108.58 60.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.641 0.734 . . . . 0.0 110.964 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.569 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.3 Cg_endo -69.82 -38.59 7.45 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.687 2.258 . . . . 0.0 112.407 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -175.16 139.35 0.6 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.094 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -173.85 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.371 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -119.25 70.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 27.2 p -82.28 -42.32 18.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -138.81 162.41 34.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -116.67 127.48 54.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.4 t -54.29 128.8 32.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -147.07 -174.4 19.1 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 124.14 10.8 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.629 2.219 . . . . 0.0 112.391 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 118' ' ' SER . 25.7 p -125.33 41.79 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 117' ' ' SER . 2.3 m -36.34 123.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.458 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.47 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.412 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -39.42 130.93 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.864 0.364 . . . . 0.0 110.779 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -151.33 157.75 42.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.3 75.14 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.443 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -98.57 101.43 12.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.812 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 m -79.88 -45.78 18.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.0 -108.83 2.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.1 p -122.25 148.75 53.0 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 -22.24 31.86 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.686 2.258 . . . . 0.0 112.315 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.13 -42.7 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -165.61 155.44 12.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.804 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -121.57 127.89 51.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 91.3 mt -73.46 -49.54 26.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 15' ' ' LYS . 7.4 tt0 -41.81 -42.75 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 14' ' ' GLU . 32.2 mttm -34.4 -37.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 14' ' ' GLU . 29.7 m170 -45.32 164.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -97.72 -25.06 15.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.789 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.486 ' CE2' HG13 ' A' ' 90' ' ' VAL . 2.2 p-90 -89.25 -29.96 18.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -78.4 110.46 13.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.952 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -103.78 -44.25 5.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.812 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.56 -108.08 3.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 95.53 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.383 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.406 ' O ' ' CZ ' ' A' ' 43' ' ' ARG . 59.8 t -130.24 123.68 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.7 m -66.75 143.82 56.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -43.42 -45.58 6.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.5 m -69.0 -61.28 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.64 -41.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.34 -62.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.075 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.08 -49.88 74.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -51.78 -61.29 2.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' CD2' HD13 ' A' ' 35' ' ' LEU . 2.4 tt -41.22 -43.54 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.9 mt -69.29 -58.67 3.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.5 p -42.24 -49.64 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.7 m -62.53 -49.77 74.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' A' ' 31' ' ' LEU . 37.7 mt -55.25 171.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.9 pt -56.07 179.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -86.33 43.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.64 73.07 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.6 m -145.19 142.14 29.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 107' ' ' PRO . 4.0 p90 -121.76 157.94 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -152.11 156.17 39.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.5 t -124.0 122.13 63.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' CZ ' ' O ' ' A' ' 23' ' ' VAL . 6.4 ptm180 -124.34 179.42 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -116.89 152.69 33.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 m -100.96 124.65 46.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -63.72 -46.69 84.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.5 t -34.09 -50.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 50' ' ' GLY . 1.9 m -122.9 130.06 24.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.703 0.763 . . . . 0.0 110.804 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 8.7 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.729 2.286 . . . . 0.0 112.323 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 48' ' ' SER . . . -154.0 40.82 0.65 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.435 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -128.45 89.95 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.357 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 67' ' ' ILE . 4.4 mm? -83.32 170.34 14.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.2 m -163.21 146.21 10.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.3 mt -105.03 101.56 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 m -94.23 96.74 9.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.477 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -110.8 130.66 55.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -79.78 134.84 36.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.787 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.48 ' CE2' ' HG3' ' A' ' 59' ' ' GLU . 74.8 t80 -157.95 123.64 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 8.1 mt-10 62.9 35.11 13.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.3 39.65 87.72 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.431 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -152.71 147.66 26.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.2 t -100.54 114.55 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.415 ' CE2' HG21 ' A' ' 101' ' ' VAL . 55.3 m-85 -101.53 120.86 40.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -102.87 140.68 36.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.805 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -127.77 100.03 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -55.21 114.66 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.471 ' CG2' ' HB ' ' A' ' 75' ' ' VAL . 17.5 mt -69.49 116.36 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -83.8 178.86 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.2 m -152.67 135.23 15.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 p -93.0 -174.9 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -42.99 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -47.91 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.77 30.92 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.56 135.3 35.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 21.0 m -106.63 134.53 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.447 ' CD1' ' HG2' ' A' ' 82' ' ' ARG . 11.0 p90 -163.54 125.19 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.925 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.484 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 29.1 m -105.01 75.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 t -175.21 169.32 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -120.06 22.34 11.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -114.78 -33.56 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -159.34 173.32 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HG2' ' CD1' ' A' ' 76' ' ' TYR . 99.2 mtt180 -121.02 175.1 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -139.64 130.04 25.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.5 m -53.22 -54.5 35.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.3 p -126.04 171.98 10.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.197 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.9 tp -64.69 -38.84 92.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.55 -37.39 57.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.062 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 33.2 mt-10 -79.82 -21.7 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.466 HD23 ' CG2' ' A' ' 90' ' ' VAL . 1.2 tt -72.22 -40.81 67.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.486 HG13 ' CE2' ' A' ' 18' ' ' TRP . 97.9 t -90.36 -35.29 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -70.45 -35.89 73.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 51.1 t60 -77.97 -40.71 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.552 ' CD2' HD12 ' A' ' 100' ' ' LEU . 4.8 m-70 -67.93 -26.32 65.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.2 p -59.9 -25.11 64.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 53.0 m -86.02 -50.82 6.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.7 p -134.21 145.13 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.467 ' N ' HG21 ' A' ' 103' ' ' THR . . . -64.35 -56.22 15.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 t70 60.42 44.05 12.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 109.97 -28.99 9.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.503 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 93' ' ' HIS . 15.6 mt -63.83 158.37 22.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.6 p -54.12 -37.28 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.165 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.5 t -173.27 149.57 1.78 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.084 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.467 HG21 ' N ' ' A' ' 97' ' ' ALA . 4.4 p -60.52 153.92 22.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.469 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 6.7 mt -89.66 135.69 33.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.424 ' ND1' ' N ' ' A' ' 105' ' ' HIS . 1.1 p-80 -130.36 -62.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 1.4 m-30 -110.83 99.81 43.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.711 0.767 . . . . 0.0 110.929 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.74 -178.38 2.31 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.76 143.46 94.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 111.108 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 148.49 65.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.268 . . . . 0.0 112.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -67.71 104.37 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.966 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 32.0 p -79.75 45.21 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -135.02 121.12 19.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt 59.26 41.32 20.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.6 t -63.98 -51.05 66.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.816 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 117.56 145.13 7.92 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.431 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.94 36.83 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.376 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.0 p -152.9 117.0 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.5 m -46.16 122.32 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.427 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -169.79 135.45 1.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 p -160.65 166.13 29.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.25 119.3 2.56 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.432 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 t -160.04 157.63 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.849 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 m -126.74 170.65 11.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.82 -56.54 0.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.526 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -41.3 144.0 0.75 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.635 0.731 . . . . 0.0 111.054 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.65 -29.4 24.47 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.308 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.7 m -138.33 168.38 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -113.68 44.43 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.5 m -58.79 -49.2 78.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.93 -62.33 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -82.79 70.85 9.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -57.94 -46.14 85.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -65.77 160.32 23.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 36.8 m -89.59 -43.92 10.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.832 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.5 p-90 -61.98 -41.53 98.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -64.91 126.1 26.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -115.7 -41.48 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.9 -127.46 8.12 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 104.51 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.661 2.241 . . . . 0.0 112.299 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.6 t -139.75 137.08 39.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.7 m -73.18 169.38 17.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.783 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.6 ptt-85 -72.06 -40.01 68.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.9 p -76.24 -38.79 55.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.41 -46.51 82.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' O ' ' CD1' ' A' ' 32' ' ' LEU . . . -58.19 -22.9 53.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -83.38 -43.06 16.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -76.36 -57.45 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tt -41.11 -58.73 1.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 28' ' ' ALA . 82.0 mt -45.37 -50.18 12.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 p -66.13 -30.43 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -71.89 -36.18 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 HD21 ' CG ' ' A' ' 109' ' ' PRO . 64.8 mt -59.95 -75.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.627 ' CD1' ' CD2' ' A' ' 106' ' ' TYR . 6.6 pt -137.19 -175.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.13 -46.18 61.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.966 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.73 95.89 0.15 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.571 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.37 160.39 17.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.909 0.385 . . . . 0.0 110.779 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 3.1 p90 -121.55 134.25 55.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.407 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -134.46 151.37 51.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.6 t -111.31 108.37 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -92.84 173.43 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -129.06 113.83 15.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.4 p -48.08 145.41 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.65 -75.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 t -79.3 62.97 3.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -168.45 163.13 8.52 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.658 0.742 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -162.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.688 2.259 . . . . 0.0 112.308 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.64 65.73 0.81 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -107.09 97.53 7.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.9 mt -85.04 157.34 20.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -152.78 151.54 30.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.9 mt -111.86 99.42 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.229 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.0 m -90.98 104.06 16.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.56 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -116.01 137.0 52.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.62 115.35 27.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -147.22 140.8 25.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 59.56 45.35 13.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.73 38.18 71.77 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.0 mtm-85 -155.19 150.95 27.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -107.94 96.98 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.636 ' CE2' ' CG2' ' A' ' 101' ' ' VAL . 53.5 m-85 -79.86 162.88 24.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.508 ' O ' ' CG ' ' A' ' 65' ' ' TYR . 1.7 p-80 -133.33 170.25 15.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.76 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.508 ' CG ' ' O ' ' A' ' 64' ' ' HIS . 70.1 m-85 -160.78 110.16 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -72.96 114.15 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.833 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.441 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 58.0 mt -71.71 120.37 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -82.64 172.04 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.9 m -149.9 136.12 18.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.6 p -93.5 176.71 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.186 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.13 -55.16 8.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -63.95 -60.06 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 146.72 43.75 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' CD ' ' HA ' ' A' ' 84' ' ' SER . 34.0 mmtm -97.04 122.58 40.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.7 133.79 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.566 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 13.1 p90 -168.68 119.81 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.441 ' CG1' ' HA ' ' A' ' 67' ' ' ILE . 35.3 m -98.88 76.5 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -174.99 171.89 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.45 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -125.45 28.37 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -131.12 -34.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.973 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.5 m -141.11 176.71 8.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.566 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 40.2 mtm-85 -138.94 175.0 9.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -141.17 160.03 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.445 ' HA ' ' CD ' ' A' ' 74' ' ' LYS . 29.6 m -80.33 -63.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.4 p -120.62 178.85 4.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.137 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.93 -43.22 65.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.79 -24.43 2.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -92.24 -33.52 14.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 tt -62.27 -40.02 94.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.47 HG11 ' CE2' ' A' ' 40' ' ' PHE . 72.9 t -86.96 -37.24 11.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -66.94 -33.12 74.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -79.47 -57.75 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.554 ' CD2' HD13 ' A' ' 100' ' ' LEU . 22.5 m-70 -48.96 -31.15 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.3 p -54.28 -35.83 62.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.6 m -76.05 -54.03 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.461 ' CA ' HG22 ' A' ' 103' ' ' THR . 7.7 p -131.77 140.78 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.407 ' N ' HG21 ' A' ' 103' ' ' THR . . . -48.28 -54.05 15.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.4 t0 56.31 32.49 20.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 105.25 31.99 4.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.554 HD13 ' CD2' ' A' ' 93' ' ' HIS . 41.6 mt -129.45 142.72 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.636 ' CG2' ' CE2' ' A' ' 63' ' ' TYR . 4.9 p -35.15 -41.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.7 t -173.99 142.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.461 HG22 ' CA ' ' A' ' 96' ' ' VAL . 41.0 p -49.79 121.89 5.83 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.216 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.56 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 56.7 mt -42.57 111.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -75.25 -73.73 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.627 ' CD2' ' CD1' ' A' ' 36' ' ' ILE . 54.9 m-85 -123.77 120.98 26.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.642 0.734 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.557 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.78 -50.36 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -175.17 137.61 0.56 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.635 0.731 . . . . 0.0 111.051 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.461 ' CG ' HD21 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.84 171.09 15.19 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.688 2.259 . . . . 0.0 112.297 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -94.3 48.48 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 81.4 m -98.06 93.82 6.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -128.17 118.67 23.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 110.83 9.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.3 m -67.61 138.6 56.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.794 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -137.3 68.96 0.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 0.31 5.74 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.753 2.302 . . . . 0.0 112.361 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.9 m -95.07 54.95 1.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.0 m -154.22 119.95 5.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.455 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -79.37 128.77 33.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.798 0.332 . . . . 0.0 110.832 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -110.15 179.5 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.91 44.2 7.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -56.36 152.42 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.821 0.343 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -154.77 148.52 25.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.73 -174.11 19.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.2 p -71.57 142.88 86.8 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.504 0.669 . . . . 0.0 111.184 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.63 -34.7 14.46 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.671 2.248 . . . . 0.0 112.395 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.3 m -113.15 136.5 49.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -112.72 142.06 45.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.9 m -109.4 -42.2 4.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 mp -51.99 -52.15 52.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -115.73 89.0 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -86.99 -51.75 5.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 69.1 m-70 -47.92 159.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.1 m -85.4 -41.88 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.8 p-90 -63.11 -46.26 88.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -49.3 119.41 3.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.969 0.414 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -101.29 -43.12 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.831 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.75 -148.67 18.64 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.433 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 100.7 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.395 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -132.41 135.61 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.8 p -86.6 162.01 18.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.6 mtm180 -48.18 -62.04 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.6 m -51.06 -64.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.3 -56.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.96 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.61 -59.31 3.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.061 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -45.5 -47.7 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 31' ' ' LEU . 8.0 t80 -63.55 -64.29 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.457 ' N ' ' CD1' ' A' ' 30' ' ' TYR . 12.4 mt -41.71 -53.54 3.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.429 ' CD2' ' CD2' ' A' ' 41' ' ' LEU . 15.2 mt -60.73 -36.7 79.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.8 t -52.73 -50.5 63.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.8 m -68.4 -45.29 73.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' CD2' ' HG3' ' A' ' 109' ' ' PRO . 15.6 mt -52.81 170.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.3 pt -64.44 176.96 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' CG ' ' N ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -75.31 -48.61 22.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.445 ' N ' ' CG ' ' A' ' 37' ' ' ASN . . . -83.03 58.13 5.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.6 p -126.47 134.14 51.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 18' ' ' TRP . 3.1 p90 -130.88 134.16 46.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.429 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 2.3 pp -131.02 155.84 46.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -115.19 102.62 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.7 ptt85 -97.69 176.9 5.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -115.46 143.5 45.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 m -74.11 151.69 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.9 -32.67 13.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.1 t -44.31 -57.67 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.794 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.0 m -138.63 143.98 40.25 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.7 0.762 . . . . 0.0 110.781 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 150.13 67.64 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.3 -46.61 2.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -57.7 145.34 34.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.984 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.459 ' CB ' HD13 ' A' ' 67' ' ' ILE . 9.6 mt -135.25 165.73 24.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m -151.65 160.15 43.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.449 ' CD1' HD21 ' A' ' 89' ' ' LEU . 87.9 mt -119.09 106.88 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.6 m -108.31 119.52 39.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.8 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.547 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -131.3 138.79 49.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -89.29 141.35 28.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -170.19 119.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.98 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 74.92 27.12 1.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.93 38.41 64.72 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.401 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -146.79 152.55 38.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.82 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.94 108.44 24.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.454 ' CE2' HG22 ' A' ' 101' ' ' VAL . 32.1 m-85 -102.79 117.6 34.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -107.14 141.3 38.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -135.48 106.16 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.462 ' NE ' ' OD1' ' A' ' 68' ' ' ASN . 0.2 OUTLIER -65.45 169.78 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.807 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.477 HD12 ' N ' ' A' ' 67' ' ' ILE . 4.5 mp -108.24 125.03 64.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.462 ' OD1' ' NE ' ' A' ' 66' ' ' ARG . 81.4 m-20 -90.67 132.42 35.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.6 m -108.67 140.52 41.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' ALA . 62.2 p -98.65 165.37 11.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' THR . . . -34.12 -66.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.138 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.07 -60.61 3.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.38 70.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.412 ' CD ' ' HA ' ' A' ' 84' ' ' SER . 30.2 mmtm -122.39 122.47 39.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.315 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.0 m -91.11 133.75 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.527 ' CZ ' ' HG2' ' A' ' 82' ' ' ARG . 30.5 p90 -168.69 131.11 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.483 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 28.5 m -107.17 74.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 t -177.53 133.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.78 4.0 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -92.06 -47.89 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.8 m -140.33 -175.02 4.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.527 ' HG2' ' CZ ' ' A' ' 76' ' ' TYR . 77.6 mtm180 -132.72 173.39 11.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.832 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 89' ' ' LEU . 56.3 m-85 -137.07 -178.16 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.412 ' HA ' ' CD ' ' A' ' 74' ' ' LYS . 19.4 m -104.19 -52.43 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.2 p -123.65 179.94 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.1 tp -74.25 -34.44 63.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.92 79.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -75.11 -42.14 57.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 1.3 tt -53.22 -51.21 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.7 t -74.42 -50.94 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.172 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' A' ' 94' ' ' SER . 79.0 t60 -53.06 -63.09 1.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -38.46 -67.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.505 ' CG ' HD21 ' A' ' 100' ' ' LEU . 22.4 m-70 -41.55 -42.8 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 8.2 t -34.8 -41.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 73.8 m -73.3 -63.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.6 p -118.89 141.37 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.158 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.89 79.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.3 t70 46.25 29.42 0.83 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.22 -56.57 0.68 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.546 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.505 HD21 ' CG ' ' A' ' 93' ' ' HIS . 4.4 mp -41.63 151.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.547 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 12.5 p -50.9 -31.6 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.6 t -174.48 135.61 0.43 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 16.0 p -38.85 110.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.204 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.507 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 84.1 mt -41.0 106.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -79.42 -73.31 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -118.05 124.35 28.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.701 0.762 . . . . 0.0 110.975 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.535 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 52.5 Cg_endo -69.83 -49.06 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -162.81 148.02 9.67 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 111.105 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.466 ' HG3' ' CD2' ' A' ' 35' ' ' LEU . 53.7 Cg_endo -69.85 166.49 27.54 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 0.0 112.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -82.18 89.15 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 86.6 m -83.21 -44.17 15.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -80.03 77.4 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -133.8 34.49 3.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.0 t -80.91 83.66 6.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 42.61 -157.84 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.572 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -20.99 33.93 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.754 2.303 . . . . 0.0 112.401 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.2 t -93.27 77.63 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.3 p -61.5 164.02 6.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.226 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 p -126.42 165.04 19.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.351 . . . . 0.0 110.92 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -128.23 146.58 50.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.77 -157.61 11.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.568 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -54.22 170.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -38.79 158.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.835 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.0 107.47 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.541 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.4 t -102.15 141.04 21.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.691 0.758 . . . . 0.0 111.044 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -33.94 15.61 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.763 2.309 . . . . 0.0 112.286 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -123.24 163.59 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.154 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -40.02 140.21 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m -150.12 -178.25 6.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 10.7 mt -105.64 -31.0 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.61 -2.11 8.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.882 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 14' ' ' GLU . 54.4 mttt -34.23 -37.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.518 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 5.2 m-70 -34.6 123.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.6 m -66.95 -40.31 87.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.518 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 4.6 p-90 -66.55 -34.26 77.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.411 ' CB ' ' HB2' ' A' ' 16' ' ' HIS . 69.2 t80 -67.62 74.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.484 ' CE1' ' O ' ' A' ' 109' ' ' PRO . 5.8 m-70 -82.07 41.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 38.4 -153.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.51 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 136.01 32.02 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.724 2.283 . . . . 0.0 112.386 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' A' ' 27' ' ' ALA . 52.5 t -142.43 146.42 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.439 ' N ' HG12 ' A' ' 23' ' ' VAL . 4.1 m -75.15 154.51 37.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.823 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -48.84 -67.57 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -52.58 -39.54 61.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.457 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . . . -54.2 -64.93 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -37.24 -59.07 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -47.99 -44.02 30.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -66.52 -56.54 10.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mp -39.81 -29.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.03 -54.45 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.974 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m 38.05 37.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 77.2 p 52.7 51.69 15.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.3 mt -42.59 -68.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.568 HD13 ' CD1' ' A' ' 106' ' ' TYR . 6.6 pt -127.58 -177.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' ILE . 4.6 p-10 -34.28 -35.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ILE . . . -171.82 107.46 0.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.498 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.3 m -116.18 155.31 28.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -132.95 164.44 26.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.4 155.48 35.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -122.63 114.53 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -118.95 173.65 6.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -116.4 167.08 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.7 t -106.7 137.58 44.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.2 mt-10 -79.12 174.4 11.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.7 t 34.13 37.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.6 m -141.06 161.94 50.83 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.833 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.436 ' HG2' ' CG ' ' A' ' 51' ' ' GLN . 52.9 Cg_endo -69.83 -162.98 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.07 64.63 1.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.543 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.436 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 8.2 mt-30 -103.43 170.15 8.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.957 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.6 mt -147.39 164.48 33.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.2 t -154.15 140.05 18.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.4 mt -109.17 104.22 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.6 m -100.43 97.91 8.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.585 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -110.69 122.7 48.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 34' ' ' SER . 4.2 tmt_? -93.02 98.59 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.6 ' CE1' ' HG2' ' A' ' 59' ' ' GLU . 8.5 t80 -97.41 155.28 16.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.6 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 2.1 pt-20 -31.77 93.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 146.63 -85.3 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -141.29 176.09 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.6 t -84.81 114.27 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.445 ' CE2' HG22 ' A' ' 101' ' ' VAL . 16.4 m-85 -97.07 160.7 14.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 65' ' ' TYR . 2.6 p80 -138.87 174.15 10.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.49 ' CE2' HD23 ' A' ' 100' ' ' LEU . 82.9 m-85 -158.29 123.84 4.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -84.22 101.82 12.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.455 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 71.3 mt -61.59 106.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -60.86 -178.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -151.97 137.17 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.0 p -107.38 176.63 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.18 92.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 73' ' ' GLY . 4.6 t70 -80.8 43.34 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 72' ' ' ASP . . . 34.6 65.46 0.37 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -118.46 152.78 35.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.828 0.346 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.19 135.38 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.562 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 9.0 p90 -173.99 124.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 33.5 m -104.27 76.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.045 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 1.7 t -175.27 176.66 2.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -128.32 3.91 5.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -94.26 -32.29 13.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -154.54 179.88 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.562 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 78.3 mtm-85 -132.55 165.65 23.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -129.98 158.47 39.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.6 m -85.8 -58.39 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.9 p -120.33 171.27 8.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 89' ' ' LEU . 29.4 tp -61.62 -53.88 50.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 91' ' ' HIS . . . -40.41 -37.4 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -76.32 -33.74 59.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.41 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.1 tt -69.56 -47.26 64.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.464 ' N ' HD22 ' A' ' 89' ' ' LEU . 61.3 t -75.63 -27.52 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 81.7 t60 -78.51 -60.8 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -51.26 -51.13 56.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 7.0 m-70 -51.95 -35.27 45.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -52.7 -27.14 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.807 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.4 m -83.3 -62.27 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.42 ' C ' HG21 ' A' ' 103' ' ' THR . 7.1 p -121.94 136.92 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.459 ' N ' ' CG2' ' A' ' 103' ' ' THR . . . -50.62 -40.98 54.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 t70 46.84 50.04 13.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.83 33.7 9.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.49 HD23 ' CE2' ' A' ' 65' ' ' TYR . 33.6 mt -127.28 154.35 45.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.585 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 6.0 p -49.7 -38.01 12.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.8 t -174.17 140.72 0.7 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.101 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 97' ' ' ALA . 57.0 p -53.56 120.43 6.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 mt -40.37 109.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -79.11 -72.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.568 ' CD1' HD13 ' A' ' 36' ' ' ILE . 40.8 m-85 -130.54 132.72 24.16 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 121.706 0.765 . . . . 0.0 110.88 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -178.21 2.24 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.8 137.48 54.27 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.562 0.696 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.484 ' O ' ' CE1' ' A' ' 20' ' ' HIS . 54.1 Cg_endo -69.74 174.04 10.06 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.629 2.219 . . . . 0.0 112.324 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -59.92 141.99 54.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 31.2 p -110.5 52.17 0.74 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -62.94 159.74 16.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 110.13 14.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' GLY . 34.2 t -70.79 140.5 51.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 114' ' ' SER . . . -37.75 99.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -175.37 1.12 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.732 2.288 . . . . 0.0 112.34 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.0 t -126.46 145.98 50.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.7 m -52.38 140.67 21.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -155.37 142.42 19.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -43.3 -59.49 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.75 161.93 32.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -95.92 167.64 11.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.876 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 p -50.74 -57.24 8.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.25 131.25 3.69 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 t -130.77 140.85 39.93 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.627 0.727 . . . . 0.0 111.102 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.19 35.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.64 2.227 . . . . 0.0 112.373 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.445 HG23 ' N ' ' A' ' 11' ' ' ASN . 3.0 m -73.23 -31.03 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.174 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.445 ' N ' HG23 ' A' ' 10' ' ' VAL . 5.3 p-10 34.6 50.42 0.42 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' LEU . 53.7 p -115.28 -45.95 2.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' SER . 3.9 mp -34.98 -59.22 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -99.12 87.37 3.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -72.61 -48.48 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.541 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 21.8 m80 -76.66 157.15 32.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.7 m -73.65 -40.79 63.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CZ2' ' CG ' ' A' ' 16' ' ' HIS . 2.9 p-90 -68.32 -38.17 81.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -59.72 104.95 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.976 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.558 ' CD2' ' CB ' ' A' ' 108' ' ' ALA . 4.9 m-70 -116.08 46.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . 35.65 -151.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 125.31 11.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.579 2.186 . . . . 0.0 112.378 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t -135.25 132.42 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.3 t -79.51 152.29 30.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -47.25 -50.82 20.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.2 t -54.67 -49.04 71.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.02 92.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -54.36 47.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -61.69 -51.5 68.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -54.06 -67.53 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 mt -38.89 -52.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 33' ' ' SER . 61.8 mt -59.09 -44.31 91.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' LEU . 3.5 t -36.11 -53.24 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 t -68.39 -48.14 65.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.5 mt -52.23 161.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.5 pt -66.9 157.83 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -76.66 50.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.23 -35.47 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -63.65 156.32 27.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.438 . . . . 0.0 110.791 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 107' ' ' PRO . 5.6 p90 -130.62 174.85 9.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 pp -158.72 152.3 23.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.0 t -112.05 109.75 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.4 ptt85 -102.71 -179.28 3.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -121.0 151.75 39.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.401 ' CB ' ' HB2' ' A' ' 51' ' ' GLN . 1.3 t -67.33 139.26 57.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -94.15 -48.4 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.7 m -47.46 -59.14 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.772 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.0 m -117.01 129.73 25.11 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.634 0.73 . . . . 0.0 110.898 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 130.67 19.75 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.707 2.271 . . . . 0.0 112.327 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.54 -42.11 2.01 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.39 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HB2' ' CB ' ' A' ' 45' ' ' SER . 9.6 mm-40 -61.26 141.15 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 110.841 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.47 ' CB ' HD13 ' A' ' 67' ' ' ILE . 11.2 mt -126.59 159.4 33.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 p -154.81 149.54 26.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.5 mt -104.88 103.38 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -92.59 106.23 18.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -113.43 129.36 56.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -80.28 138.52 36.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.536 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 41.6 t80 -169.25 148.46 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.024 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 43.5 43.38 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.11 38.61 77.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.562 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -142.31 168.36 19.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.6 t -123.14 91.86 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.499 ' CD2' HG22 ' A' ' 101' ' ' VAL . 84.9 m-85 -81.46 149.8 28.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -125.42 135.54 52.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.427 ' OH ' ' CG2' ' A' ' 101' ' ' VAL . 97.2 m-85 -122.93 85.02 2.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 156.87 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.472 HD12 ' N ' ' A' ' 67' ' ' ILE . 3.1 mp -96.86 133.31 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -105.52 136.79 44.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.8 m -114.6 142.75 46.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 p -100.11 171.86 7.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -38.68 -62.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.71 -61.29 2.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 142.8 65.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -122.0 130.26 53.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.4 m -92.97 140.63 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.525 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 3.3 p90 -173.29 123.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -100.13 75.93 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -175.46 174.25 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -126.31 -2.39 6.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -91.76 -44.56 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -135.57 -175.02 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.525 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 69.2 mtm-85 -136.01 171.49 14.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -137.68 171.63 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -100.76 -48.01 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.4 p -129.51 164.58 23.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.65 -52.13 64.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.96 -46.71 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -68.76 -34.52 75.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.555 ' C ' ' CD2' ' A' ' 89' ' ' LEU . 2.4 tt -61.96 -47.3 85.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.419 HG12 ' CD1' ' A' ' 104' ' ' LEU . 99.3 t -79.73 -50.62 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 94' ' ' SER . 5.0 t60 -52.13 -60.49 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.821 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -43.88 -47.15 8.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -85.2 31.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 54.1 p -97.94 -14.21 20.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 53.9 m -108.07 -41.73 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.107 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.471 ' CA ' HG22 ' A' ' 103' ' ' THR . 14.3 p -118.97 145.39 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -84.21 13.18 5.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -55.62 82.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 131.11 -39.16 1.82 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.7 mt -102.17 172.23 7.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.343 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.536 ' CG1' ' CD2' ' A' ' 58' ' ' TYR . 55.8 t -63.55 -49.35 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.0 t -144.1 149.31 36.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.042 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.471 HG22 ' CA ' ' A' ' 96' ' ' VAL . 21.9 p -52.82 125.82 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 25.2 mt -64.74 85.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.493 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 1.7 p-80 -88.94 -54.4 4.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.798 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.493 ' CE1' ' HB2' ' A' ' 105' ' ' HIS . 0.7 OUTLIER -119.37 99.25 50.3 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.636 0.732 . . . . 0.0 110.908 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 53.4 Cg_endo -69.8 -172.27 0.56 Allowed 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.709 2.273 . . . . 0.0 112.337 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.558 ' CB ' ' CD2' ' A' ' 20' ' ' HIS . . . -53.66 141.38 45.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 141.19 44.36 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.293 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.07 168.35 10.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.6 t -129.97 138.18 50.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -145.0 140.39 28.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -100.73 -48.98 4.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.5 p -80.9 79.61 7.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.23 -79.25 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 91.11 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.387 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.1 t -95.31 152.01 18.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 t -149.71 157.99 43.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.567 -0.213 . . . . 0.0 112.567 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -163.44 138.91 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -158.53 157.86 32.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.78 119.67 0.51 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p -172.77 156.57 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.396 . . . . 0.0 110.907 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -154.81 117.24 4.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.56 107.95 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.9 p -139.84 135.12 16.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.53 0.681 . . . . 0.0 111.159 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 11' ' ' ASN . 53.3 Cg_endo -69.83 -168.26 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' A' ' 9' ' ' PRO . 10.0 p 30.64 38.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' PRO . 43.1 p-10 -95.64 162.79 13.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 m -153.48 108.51 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.32 105.09 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' LYS . 11.0 mp0 49.82 40.93 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' GLU . 32.6 mmtt -35.34 -48.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.517 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 18.5 m-70 -69.23 125.77 27.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.766 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 m -55.84 -48.15 75.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.517 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 2.7 p-90 -63.5 -43.93 95.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.478 ' CB ' ' HB2' ' A' ' 16' ' ' HIS . 32.4 t80 -61.32 118.5 6.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -105.96 -58.84 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.56 -116.81 3.69 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 91.2 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.638 2.225 . . . . 0.0 112.35 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.6 t -123.24 120.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.9 t -65.97 144.96 56.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 -44.51 -45.61 9.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -66.43 -55.07 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.56 -42.09 55.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.13 -54.48 30.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -70.13 -53.02 19.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -48.52 -59.1 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.948 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tt -43.6 -49.16 7.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.1 mt -53.95 -45.95 71.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 t -41.17 -55.85 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -54.67 -47.39 73.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.9 mt -63.78 156.4 27.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.526 HD11 ' CD2' ' A' ' 106' ' ' TYR . 7.8 pt -51.56 168.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -80.46 44.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.3 51.43 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.8 m -129.41 149.77 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.935 0.398 . . . . 0.0 110.813 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 107' ' ' PRO . 2.7 p90 -122.49 155.6 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 pp -144.8 152.74 40.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.6 t -115.87 113.68 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.8 ptt85 -112.42 172.72 6.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -122.0 158.83 28.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -86.81 132.32 33.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.801 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' SER . 9.9 tm-20 -73.17 -58.65 3.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' GLU . 26.6 t -36.49 -62.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 t -126.52 135.21 26.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.651 0.739 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 172.98 11.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.632 2.221 . . . . 0.0 112.312 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.24 -43.92 2.57 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.74 122.46 15.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.7 mt -122.03 170.4 9.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.0 m -160.33 141.61 12.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.1 mt -100.42 99.54 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.5 m -96.97 105.28 17.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.534 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -119.8 134.56 55.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -93.03 129.93 38.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 5.8 t80 -152.43 117.41 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 68.63 41.09 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.59 36.2 92.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -144.2 141.39 29.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.4 t -104.44 111.31 33.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -98.01 127.53 44.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -106.54 127.72 53.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.424 ' CE1' HD23 ' A' ' 100' ' ' LEU . 91.2 m-85 -115.86 87.17 2.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -60.7 103.03 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.468 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 4.8 mp -54.14 133.16 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.425 ' N ' HG22 ' A' ' 67' ' ' ILE . 66.7 m-20 -90.95 156.24 18.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.1 m -136.3 138.35 41.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.3 p -103.54 173.37 6.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.102 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -37.57 -61.09 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.47 -54.85 40.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 135.15 38.49 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -89.31 121.82 31.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.6 m -87.92 132.63 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.517 ' CG ' ' HG2' ' A' ' 82' ' ' ARG . 19.5 p90 -169.71 114.27 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 67' ' ' ILE . 33.5 m -94.39 75.25 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -176.79 157.1 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.56 34.49 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -130.3 -43.98 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -140.32 175.24 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.517 ' HG2' ' CG ' ' A' ' 76' ' ' TYR . 75.6 mtm-85 -132.16 168.29 18.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -127.61 161.5 28.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.9 p -85.21 -54.34 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.856 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.7 p -127.34 164.68 21.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.105 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 89' ' ' LEU . 21.5 tp -56.84 -54.2 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -37.34 -48.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -69.06 -35.38 76.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 86' ' ' LEU . 8.9 tt -57.64 -50.4 73.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 95.0 t -77.39 -45.47 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -56.13 -55.53 31.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.792 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -51.05 -49.07 61.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.553 ' CD2' HD13 ' A' ' 100' ' ' LEU . 17.4 m-70 -59.25 -54.53 45.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.756 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 93' ' ' HIS . 25.2 p -35.21 -34.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.815 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' HIS . 41.6 m -81.27 -53.6 6.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.469 ' CA ' HG21 ' A' ' 103' ' ' THR . 11.8 p -130.47 132.37 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 103' ' ' THR . . . -44.48 -47.76 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.8 t70 52.78 39.12 28.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.65 40.09 4.8 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.398 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.553 HD13 ' CD2' ' A' ' 93' ' ' HIS . 37.9 mt -134.26 153.13 52.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.365 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.534 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 8.6 p -40.74 -41.93 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.416 ' N ' HG12 ' A' ' 101' ' ' VAL . 7.4 t -173.59 148.69 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.231 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.469 HG21 ' CA ' ' A' ' 96' ' ' VAL . 36.4 p -55.0 125.95 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 29.5 mt -62.12 98.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -98.48 -51.42 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.526 ' CD2' HD11 ' A' ' 36' ' ' ILE . 55.1 m-85 -111.18 98.99 41.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.568 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.3 Cg_endo -69.78 -170.74 0.41 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.713 2.275 . . . . 0.0 112.272 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.89 141.19 71.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 111.024 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.91 -173.34 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.614 2.209 . . . . 0.0 112.327 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.1 mmtt -94.72 162.01 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 35.3 t -68.36 -47.54 67.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 113' ' ' LYS . 49.1 t30 -164.36 155.26 15.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 112' ' ' ASN . 0.0 OUTLIER -34.28 134.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 t -164.71 157.12 16.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.841 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -150.53 75.36 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.468 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 117' ' ' SER . 53.9 Cg_endo -69.77 -50.64 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 116' ' ' PRO . 53.8 p 34.31 42.27 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 72.7 m -156.34 155.55 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 179.928 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -82.66 122.74 28.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -56.85 169.96 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.817 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.36 -92.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.549 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.1 p -123.41 39.5 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.402 . . . . 0.0 110.891 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 p -121.55 108.85 14.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.91 -64.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -142.65 138.13 15.91 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.654 0.74 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.48 ' O ' ' C ' ' A' ' 10' ' ' VAL . 54.0 Cg_endo -69.69 -38.17 8.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.637 2.225 . . . . 0.0 112.457 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.48 ' C ' ' O ' ' A' ' 9' ' ' PRO . 19.9 m -31.02 -43.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 11' ' ' ASN . 37.7 p-10 -107.33 87.88 2.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.3 p -76.29 153.58 35.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 mt -122.17 -61.13 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 19' ' ' TYR . 15.3 mp0 -102.53 85.64 2.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.793 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -57.12 -44.92 83.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.471 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 51.5 m-70 -87.94 151.02 23.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.9 m -69.27 -36.89 77.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 4.9 p-90 -75.49 -37.63 60.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 34.9 t80 -62.32 97.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.53 ' CD2' ' HB2' ' A' ' 108' ' ' ALA . 4.7 m-70 -109.6 45.53 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . 36.73 -156.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 118.42 5.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.299 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.3 t -128.0 124.42 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m -51.11 138.42 20.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -47.25 -41.7 19.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.801 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -66.42 -53.28 37.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.09 -53.93 36.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.23 -52.31 4.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.042 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -62.94 -54.13 43.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -44.05 -48.71 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 tp -60.15 -50.06 75.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.75 -29.17 69.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.5 t -80.15 -1.48 40.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.1 p -120.82 20.39 11.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.409 ' CD2' ' HG3' ' A' ' 109' ' ' PRO . 23.4 mt -132.45 -177.32 4.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 pt -51.81 172.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -93.71 34.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.77 37.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -110.21 157.45 19.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 107' ' ' PRO . 17.8 p90 -134.87 164.76 26.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 pp -147.63 157.73 43.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.4 t -124.91 101.93 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -91.57 179.52 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -139.21 147.88 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.9 t -90.82 149.93 21.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 47' ' ' SER . 23.3 tt0 -102.25 -29.67 11.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' GLU . 11.2 m -36.75 -57.22 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.7 m -131.93 139.19 34.31 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.579 0.705 . . . . 0.0 110.941 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 84.49 0.65 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.799 2.333 . . . . 0.0 112.315 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.63 40.71 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -132.16 144.2 50.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.3 mt -141.88 164.06 31.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.8 m -158.28 137.75 11.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.82 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.426 ' CD1' HD22 ' A' ' 89' ' ' LEU . 27.1 mt -100.62 127.59 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -125.24 109.29 12.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.55 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -119.64 137.64 53.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HD3' ' CA ' ' A' ' 60' ' ' GLY . 1.9 tmm_? -83.33 139.16 33.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -150.35 123.79 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 53.9 30.91 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.424 ' CA ' ' HD3' ' A' ' 57' ' ' ARG . . . 91.7 -36.17 3.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.449 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -80.11 144.9 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.7 t -98.95 134.19 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.682 ' CD2' ' CG2' ' A' ' 101' ' ' VAL . 51.9 m-85 -111.32 139.25 46.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.446 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 20.4 p80 -115.68 145.32 42.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.47 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 4.3 m-85 -139.13 110.1 6.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -73.62 135.17 43.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 67' ' ' ILE . 2.7 mp -82.88 138.89 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -109.97 128.95 55.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.2 m -112.68 134.29 54.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.7 p -91.18 172.03 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -39.22 -68.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -52.97 -70.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.06 77.3 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -132.58 112.94 12.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.0 m -83.54 138.39 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 17.8 p90 -173.56 116.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.401 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 27.8 m -92.93 76.47 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -175.06 173.51 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -127.41 29.92 5.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -134.71 -39.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -131.68 177.12 7.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.807 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 33.1 mtm-85 -140.56 176.73 8.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.95 156.5 45.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.1 m -72.29 -63.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.7 p -124.55 -175.64 3.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.66 -48.41 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 91' ' ' HIS . . . -46.0 -44.53 15.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.006 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -71.93 -26.2 62.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 54' ' ' ILE . 10.2 tt -68.3 -50.67 51.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.8 t -81.33 -31.99 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 68.1 t60 -70.73 -43.94 67.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -70.25 -53.82 15.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -50.13 -37.71 35.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.6 p -48.04 -19.96 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.2 m -88.33 -73.49 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.462 ' CA ' HG22 ' A' ' 103' ' ' THR . 8.2 p -112.26 138.86 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.404 ' N ' ' CG2' ' A' ' 103' ' ' THR . . . -47.76 -54.56 11.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.8 t0 51.7 29.03 5.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 134.85 -61.75 0.63 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.566 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.47 ' HG ' ' CE2' ' A' ' 65' ' ' TYR . 7.8 mp -46.28 140.25 4.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.682 ' CG2' ' CD2' ' A' ' 63' ' ' TYR . 3.4 t -33.6 -39.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.4 t -169.93 145.14 2.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.462 HG22 ' CA ' ' A' ' 96' ' ' VAL . 65.5 p -43.32 151.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.557 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 4.0 mt -79.67 95.45 5.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -64.02 -68.88 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -129.74 133.4 25.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.573 0.702 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.57 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.69 -169.19 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.695 2.264 . . . . 0.0 112.323 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.53 ' HB2' ' CD2' ' A' ' 20' ' ' HIS . . . -82.72 135.48 45.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.494 0.664 . . . . 0.0 111.16 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.409 ' HG3' ' CD2' ' A' ' 35' ' ' LEU . 53.8 Cg_endo -69.74 135.68 31.12 Favored 'Trans proline' 0 C--N 1.34 0.132 0 C-N-CA 122.657 2.238 . . . . 0.0 112.318 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -55.85 144.46 27.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 92.8 m -90.06 83.39 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -152.37 105.19 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -119.63 168.23 11.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 m -106.81 -45.55 4.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 70.75 -161.95 53.81 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.8 -6.99 19.94 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.729 2.286 . . . . 0.0 112.296 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.2 t -167.68 112.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.1 m -40.4 161.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.826 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -162.83 144.56 10.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.814 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -95.08 -47.99 6.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.72 145.9 6.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.441 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -121.55 136.57 54.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -161.87 138.32 8.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.84 139.2 2.59 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.5 t -132.77 140.82 38.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 111.182 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 10' ' ' VAL . 53.0 Cg_endo -69.79 -46.63 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.605 2.204 . . . . 0.0 112.336 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 9' ' ' PRO . 28.4 m -34.96 -38.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -95.72 144.84 25.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.3 p -102.48 93.7 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.801 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.9 mt -110.52 -53.01 2.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.52 45.49 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -106.11 -39.45 5.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.47 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 15.0 m80 -69.83 157.85 36.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.6 p -75.05 -43.02 55.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.47 ' CZ2' ' CG ' ' A' ' 16' ' ' HIS . 13.5 p-90 -66.66 -25.21 66.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -77.82 98.93 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -86.93 -54.56 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.6 -116.83 5.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 90.52 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.42 143.62 40.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ARG . 39.0 m -93.98 137.77 32.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . 21.5 ttm180 -34.62 -55.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -53.37 -54.43 36.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.64 -43.43 62.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.14 -64.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -44.95 -51.66 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' LEU . 4.2 t80 -54.74 -63.65 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -36.1 -68.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.015 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.2 mt -38.9 -41.51 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.976 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 30' ' ' TYR . 4.3 t -49.21 -59.93 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.4 m -44.18 -45.82 8.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.782 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.1 mt -79.21 178.19 8.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.0 pt -73.34 166.93 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -55.85 -39.79 71.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.0 64.97 4.14 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -137.41 142.26 41.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.994 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' A' ' 107' ' ' PRO . 28.5 p90 -128.79 167.7 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 42' ' ' VAL . 1.6 pp -153.89 155.63 36.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.425 ' N ' HD12 ' A' ' 41' ' ' LEU . 95.3 t -119.89 105.33 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 44' ' ' GLU . 46.9 ptt85 -117.62 178.09 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 5.4 tm-20 -100.97 142.5 32.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -53.38 136.2 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -75.16 -44.37 47.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.3 t -70.25 -70.53 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.807 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.6 m -75.76 119.15 75.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.87 132.1 22.45 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.05 -41.38 3.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -53.84 120.77 6.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.8 mt -76.32 167.17 22.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.0 t -165.38 135.44 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.7 mt -101.15 141.22 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.3 m -139.35 119.1 13.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.813 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.489 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -131.0 148.32 52.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.471 ' CD ' HG23 ' A' ' 62' ' ' VAL . 4.0 mmt85 -88.24 127.68 35.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.583 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 14.7 t80 -132.15 119.93 21.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.989 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 63.18 25.22 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.448 ' O ' ' CD ' ' A' ' 57' ' ' ARG . . . 99.33 -44.34 1.7 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 -73.33 155.55 39.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.471 HG23 ' CD ' ' A' ' 57' ' ' ARG . 92.4 t -92.83 142.42 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.605 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 5.1 m-85 -124.67 164.48 19.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.996 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.428 ' C ' ' CG ' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -140.13 167.1 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.552 ' CE2' ' HA ' ' A' ' 100' ' ' LEU . 5.7 m-85 -157.45 112.4 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.943 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -74.68 133.92 42.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 68' ' ' ASN . 3.6 mp -82.71 135.29 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.45 ' N ' HG23 ' A' ' 67' ' ' ILE . 84.0 m-20 -111.78 148.53 33.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.2 146.6 44.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.23 -59.28 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -151.88 150.8 30.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 47.86 38.51 9.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.4 28.58 64.92 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -67.76 121.49 16.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.8 m -107.86 140.49 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.455 ' CG ' ' O ' ' A' ' 76' ' ' TYR . 19.9 p90 -168.25 118.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.44 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 34.5 m -97.27 75.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.177 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 t -176.4 165.81 2.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.099 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -119.53 32.39 6.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.581 ' HB2' ' HD2' ' A' ' 98' ' ' ASP . 18.4 mt-10 -135.03 -38.63 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 p -134.15 177.39 7.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -140.98 177.88 7.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -146.59 176.88 9.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.3 p -94.39 -60.8 1.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.3 p -129.6 177.03 7.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' ALA . 13.4 tp -61.48 -57.23 13.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -36.25 -38.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.049 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.74 -44.18 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.567 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 3.4 tt -50.54 -42.5 55.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.457 ' N ' HD22 ' A' ' 89' ' ' LEU . 74.2 t -81.76 -62.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.431 ' O ' ' CB ' ' A' ' 94' ' ' SER . 3.7 t-80 -47.22 -61.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -47.61 -57.93 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.792 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 2.6 m-70 -44.11 -36.12 2.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 7.8 t -37.8 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' HIS . 77.8 m -86.15 -58.65 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.105 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 97' ' ' ALA . 12.4 p -109.08 146.53 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -88.26 15.02 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.581 ' HD2' ' HB2' ' A' ' 80' ' ' GLU . 15.6 t0 -47.06 88.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 124.2 -49.79 0.89 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.422 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.552 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . 7.5 mp -90.71 147.61 23.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.605 ' CG1' ' CD2' ' A' ' 63' ' ' TYR . 20.6 m -45.6 -40.18 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.438 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 13.8 t -150.51 147.99 28.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.457 ' N ' ' HB2' ' A' ' 97' ' ' ALA . 66.7 p -53.17 134.3 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.515 HD23 ' CG ' ' A' ' 40' ' ' PHE . 78.4 mt -52.44 114.18 1.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -80.2 -67.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -138.19 135.15 18.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.663 0.744 . . . . 0.0 110.902 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.546 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.82 -177.95 2.14 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.388 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -111.96 137.13 21.27 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.54 0.686 . . . . 0.0 111.063 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -179.34 2.89 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -74.25 151.02 39.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.7 t -154.86 172.72 17.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.998 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -153.8 171.51 18.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -127.83 128.14 44.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.4 t -112.4 -50.88 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 133.0 149.86 6.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 118' ' ' SER . 53.3 Cg_endo -69.75 2.0 3.92 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.729 2.286 . . . . 0.0 112.338 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 116' ' ' PRO . 50.5 m -34.86 95.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 116' ' ' PRO . 33.8 m -88.14 143.24 27.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -161.9 113.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.934 0.397 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -152.47 173.71 14.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.944 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.04 -41.16 0.25 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.566 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 p -41.51 160.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.825 0.345 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 p -167.91 148.87 5.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.14 -172.71 25.74 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.454 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.4 p -48.4 142.47 8.22 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 121.567 0.698 . . . . 0.0 111.142 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.474 ' O ' ' N ' ' A' ' 11' ' ' ASN . 55.0 Cg_endo -69.63 -31.64 20.68 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.742 2.294 . . . . 0.0 112.397 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 m 39.22 25.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 9' ' ' PRO . 37.6 p30 -94.47 163.32 13.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.2 m -122.09 94.45 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.804 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mt 67.95 40.06 2.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.942 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' HIS . 1.9 tt0 -53.06 -39.09 63.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 14' ' ' GLU . 37.6 mtpt -34.44 -33.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.539 ' ND1' ' CZ2' ' A' ' 18' ' ' TRP . 31.5 m170 -47.22 168.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -100.19 -11.56 20.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.813 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.539 ' CZ2' ' ND1' ' A' ' 16' ' ' HIS . 3.7 p-90 -103.84 -27.1 12.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -81.23 111.81 17.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.975 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.555 ' CD2' ' HB1' ' A' ' 108' ' ' ALA . 7.6 m-70 -116.18 36.79 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 52.94 -157.12 4.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 102.79 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.637 2.225 . . . . 0.0 112.384 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.2 t -112.98 130.85 66.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.164 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ARG . 17.2 m -60.73 124.6 20.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' SER . 2.9 ptp85 -34.58 -38.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 t -69.78 -55.03 10.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.8 -47.88 64.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.56 -69.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.103 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' HG2' ' CG1' ' A' ' 62' ' ' VAL . 46.1 mt-10 -46.55 -21.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.3 -67.96 0.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.1 tp -46.77 -50.14 18.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.0 mt -39.84 -66.76 0.27 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' SER . 10.7 t -59.7 -57.57 12.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' SER . 24.2 p -35.74 -47.75 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.72 -75.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 pt -143.55 -176.19 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.9 30.86 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.57 100.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -153.22 155.3 36.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.879 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 107' ' ' PRO . 2.9 p90 -131.78 146.82 52.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 42' ' ' VAL . 2.4 pp -144.83 160.84 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.433 ' N ' HD12 ' A' ' 41' ' ' LEU . 75.8 t -115.6 106.85 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.7 ptt85 -97.67 156.28 16.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.586 ' HE2' ' HA ' ' A' ' 49' ' ' PRO . 6.1 tm-20 -118.1 156.04 29.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.5 m -83.27 138.51 33.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -88.47 -59.33 2.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 61.7 p -45.19 -49.28 12.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 29.0 m -126.16 102.57 27.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.586 ' HA ' ' HE2' ' A' ' 44' ' ' GLU . 54.2 Cg_endo -69.81 119.11 6.11 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.656 2.237 . . . . 0.0 112.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 136.78 -16.62 3.74 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -95.44 87.93 4.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.876 0.37 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 52' ' ' LEU . 4.2 mm? -73.31 162.77 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.3 t -154.84 138.93 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.5 mt -111.02 107.89 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 m -105.71 105.22 15.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.55 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -113.36 138.72 49.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 2.4 mmm180 -81.91 132.34 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.653 ' CD2' ' CG2' ' A' ' 101' ' ' VAL . 89.0 t80 -156.27 121.59 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 61.39 42.59 11.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.15 35.95 91.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -145.82 162.55 37.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.477 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 71.9 t -116.39 114.8 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.524 ' CZ ' HG23 ' A' ' 101' ' ' VAL . 93.4 m-85 -96.02 127.22 41.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -100.75 134.23 44.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.474 ' CZ ' HD22 ' A' ' 100' ' ' LEU . 73.0 m-85 -129.95 105.47 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.33 124.76 24.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mp -74.59 122.08 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.229 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -86.47 174.63 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.8 m -153.9 134.77 13.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.6 p -87.62 168.37 13.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.61 -43.69 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.3 -69.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.4 66.64 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -120.17 121.19 38.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.5 m -92.76 129.74 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.44 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 26.6 p90 -167.27 117.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 32.9 m -95.85 74.85 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 t -176.9 146.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.196 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.42 8.54 43.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.11 -47.94 5.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 t -138.17 -179.88 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 -127.13 170.02 12.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -138.41 152.58 48.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.1 p -75.44 -57.86 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.1 p -125.68 -176.3 3.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 10.2 tp -73.34 -49.41 27.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.39 -30.56 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.069 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.19 -26.34 23.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.459 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.3 OUTLIER -69.93 -42.12 73.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.457 ' N ' HD21 ' A' ' 89' ' ' LEU . 75.6 t -83.18 -37.55 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -69.27 -51.83 33.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -60.83 -41.47 95.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 4.7 m-70 -63.81 -39.87 95.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.3 p -46.71 -29.76 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.2 m -87.58 -61.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.2 p -111.03 143.34 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.425 ' N ' HG23 ' A' ' 103' ' ' THR . . . -73.97 -44.82 53.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 t0 57.12 35.36 26.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.26 -28.68 9.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.575 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.474 HD22 ' CZ ' ' A' ' 65' ' ' TYR . 18.3 mt -57.69 148.38 24.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.653 ' CG2' ' CD2' ' A' ' 58' ' ' TYR . 3.7 p -43.08 -40.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.052 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.474 ' CG2' HD12 ' A' ' 56' ' ' LEU . 10.3 t -171.49 148.05 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 97' ' ' ALA . 75.4 p -64.05 128.25 34.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.487 HD13 ' CE1' ' A' ' 40' ' ' PHE . 26.6 mt -48.81 138.7 10.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.979 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.486 ' CD2' ' H ' ' A' ' 106' ' ' TYR . 4.1 p-80 -118.59 -67.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.486 ' H ' ' CD2' ' A' ' 105' ' ' HIS . 0.9 OUTLIER -118.37 111.25 38.41 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.681 0.753 . . . . 0.0 110.926 -179.829 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 54.5 Cg_endo -69.82 -179.09 2.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.555 ' HB1' ' CD2' ' A' ' 20' ' ' HIS . . . -66.77 167.12 14.64 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.17 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.431 ' HD2' ' CB ' ' A' ' 108' ' ' ALA . 54.2 Cg_endo -69.72 166.36 27.81 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.781 2.321 . . . . 0.0 112.365 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -71.01 121.76 18.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 26.0 p -54.74 -39.68 68.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -113.19 159.45 19.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -127.01 -55.39 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.9 p -85.12 93.32 8.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -40.31 101.41 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 131.71 21.72 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.709 2.273 . . . . 0.0 112.36 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 76.7 p -100.3 144.88 28.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 35.6 t -170.47 126.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.808 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.493 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -73.9 142.77 45.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.937 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.9 p -88.82 134.54 33.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.3 168.17 15.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -84.79 106.62 16.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -81.34 90.73 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.71 171.93 37.95 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.423 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.5 p -67.21 122.02 81.02 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-O 121.512 0.672 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 10' ' ' VAL . 54.1 Cg_endo -69.86 -12.34 32.52 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.657 2.238 . . . . 0.0 112.4 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 9' ' ' PRO . 24.4 m 32.61 46.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -71.94 128.21 35.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -97.87 -48.87 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mp -129.43 86.19 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -111.07 34.53 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -77.86 -48.57 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.504 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 12.6 m80 -57.35 159.43 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.1 m -82.06 -43.96 17.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.504 ' CZ2' ' CG ' ' A' ' 16' ' ' HIS . 1.1 p-90 -60.43 -47.61 85.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -38.74 121.37 1.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -105.48 -42.76 5.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.96 -156.66 15.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 90.98 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.298 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 24' ' ' SER . 95.9 t -117.22 151.03 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.465 ' N ' HG13 ' A' ' 23' ' ' VAL . 17.3 m -100.9 145.86 28.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . 16.2 ptt180 -34.9 -42.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -72.17 -65.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.97 -37.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.63 -66.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -47.32 -41.25 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -67.82 -36.98 81.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.14 -54.79 28.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.77 -32.39 43.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -45.99 -35.34 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.2 t -89.64 32.43 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.0 mt -143.86 177.45 8.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 pt -82.06 159.42 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -76.37 51.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.756 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.84 -33.68 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -62.0 158.08 17.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.926 0.393 . . . . 0.0 110.883 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 107' ' ' PRO . 18.8 p90 -131.65 163.34 28.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 pp -141.09 155.82 46.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.4 t -126.48 102.42 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -105.84 173.1 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 45' ' ' SER . 20.8 tt0 -124.68 112.25 16.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' GLU . 43.5 t -36.55 128.89 0.79 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.6 OUTLIER -75.31 -50.24 16.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' GLU . 58.7 m -34.66 -53.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.0 t -130.37 135.5 27.52 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 153.32 69.18 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.695 2.264 . . . . 0.0 112.387 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.56 -49.65 3.18 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -53.99 129.83 35.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 110.975 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 67' ' ' ILE . 32.4 mt -118.15 166.93 11.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.6 p -158.99 131.38 6.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.932 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.2 mt -102.8 96.8 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.07 97.13 10.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.543 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -106.55 122.15 45.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.8 108.73 20.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 59' ' ' GLU . 8.3 t80 -114.86 155.09 27.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.597 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 2.0 pt-20 -30.76 95.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 146.72 -88.91 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.442 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -145.45 175.72 10.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.981 0.42 . . . . 0.0 110.773 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.4 t -79.1 128.24 38.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.54 ' CE2' HG23 ' A' ' 101' ' ' VAL . 16.6 m-85 -117.83 123.97 47.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -109.23 144.15 37.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -127.91 95.95 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -66.15 85.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.458 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 4.3 mp -37.44 137.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -91.02 173.06 8.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.9 m -147.51 137.47 22.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.4 p -92.57 175.47 6.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.8 -43.37 58.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -67.55 -59.76 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.96 37.92 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -90.54 177.48 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -137.72 134.28 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 12.6 p90 -172.14 120.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.458 ' CG1' ' HA ' ' A' ' 67' ' ' ILE . 17.7 m -101.18 76.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -175.22 170.38 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -123.39 30.8 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -131.0 -38.8 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 m -140.1 178.6 7.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.579 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 74.4 mtm-85 -135.87 177.73 7.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -143.04 158.13 43.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.9 m -80.62 -57.83 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.8 p -121.75 177.64 5.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 89' ' ' LEU . 17.2 tp -69.53 -56.32 7.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.39 -35.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 46.9 mm-40 -74.77 -35.93 62.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 86' ' ' LEU . 2.8 tt -65.06 -47.92 75.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.435 ' N ' HD23 ' A' ' 89' ' ' LEU . 55.4 t -71.34 -49.56 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -60.83 -48.72 80.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.469 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 65.2 t60 -55.92 -56.67 17.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.466 ' CD2' HD12 ' A' ' 100' ' ' LEU . 18.8 m-70 -45.55 -36.33 4.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.4 p -40.4 -30.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 m -84.96 -46.82 10.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.404 HG22 ' CG ' ' A' ' 98' ' ' ASP . 14.6 p -128.76 144.97 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.161 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -84.44 12.08 7.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.404 ' CG ' HG22 ' A' ' 96' ' ' VAL . 24.3 m-20 -38.48 92.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 107.0 -45.79 1.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 100' ' ' LEU . 7.3 mp -76.64 162.82 27.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.894 0.378 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.54 HG23 ' CE2' ' A' ' 63' ' ' TYR . 1.1 p -59.06 -39.84 79.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.436 ' N ' ' CG1' ' A' ' 101' ' ' VAL . 5.1 t -169.15 146.9 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.213 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.6 p -37.86 108.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.435 HD11 ' CZ ' ' A' ' 40' ' ' PHE . 78.4 mt -40.1 133.77 1.66 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -105.99 -68.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -120.15 116.49 32.5 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.752 . . . . 0.0 110.942 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.559 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.71 -42.86 3.09 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.411 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -163.83 148.76 8.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.667 0.746 . . . . 0.0 110.985 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 171.82 13.84 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.697 2.265 . . . . 0.0 112.257 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -107.48 34.94 3.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 58.8 m -124.36 178.4 5.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -135.11 173.95 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 114' ' ' SER . 13.7 tptp -107.9 151.84 25.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.402 ' N ' ' HG3' ' A' ' 113' ' ' LYS . 41.5 t -153.77 160.14 42.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -153.14 93.16 0.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.83 -12.99 33.87 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.643 2.229 . . . . 0.0 112.406 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 88.1 p -40.77 143.18 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.796 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.8 t -88.34 154.2 20.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.422 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 p -69.59 87.16 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m -149.8 140.68 22.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.84 -174.52 31.63 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 m -102.22 117.72 35.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 0.0 110.823 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -85.09 105.33 15.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.62 -117.71 0.86 Allowed Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.435 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.5 p -126.58 148.81 66.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.662 0.744 . . . . 0.0 111.124 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 10' ' ' VAL . 53.8 Cg_endo -69.73 -168.67 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 9' ' ' PRO . 9.8 p 29.69 43.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' PRO . 1.4 t30 -88.87 -49.55 6.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.807 ' HG ' ' HE2' ' A' ' 14' ' ' GLU . 1.1 t -98.51 147.17 25.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.6 mt -71.19 -73.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.807 ' HE2' ' HG ' ' A' ' 12' ' ' SER . 0.6 OUTLIER 49.03 40.57 17.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt -87.39 -40.74 14.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -63.11 160.43 15.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -86.49 -41.48 14.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -68.31 -34.55 76.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -66.37 101.77 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.512 ' CD2' ' HB2' ' A' ' 108' ' ' ALA . 4.0 m-70 -105.5 39.52 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 37.7 -155.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 112.94 3.2 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 27' ' ' ALA . 55.8 t -117.9 151.65 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' ARG . 7.4 p -80.4 144.42 32.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' SER . 1.9 mpp_? -37.52 -59.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ALA . 2.3 m -57.15 -57.74 11.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.462 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . . . -37.29 -40.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.58 -59.86 4.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -56.94 -50.44 72.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.58 -67.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tp -46.38 -32.32 3.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' HB3' ' CG ' ' A' ' 57' ' ' ARG . 20.7 mt -74.6 -40.96 61.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.7 t -47.38 -58.11 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -55.0 -51.73 65.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.9 mt -47.86 155.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.2 pt -61.44 -178.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -86.87 48.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.88 31.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.413 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.9 m -112.66 144.62 41.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 107' ' ' PRO . 11.7 p90 -131.69 154.33 49.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.8 152.15 38.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -114.9 126.1 72.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.6 ptt85 -128.86 -176.68 3.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -115.46 124.5 51.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.9 p -66.07 125.5 25.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -80.9 165.89 21.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.7 t 58.36 42.54 21.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -154.39 156.57 31.82 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.59 0.71 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 82.38 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.67 2.247 . . . . 0.0 112.316 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 46.21 51.15 11.9 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -96.89 156.48 16.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.457 ' HB2' ' CD1' ' A' ' 67' ' ' ILE . 4.8 mt -130.51 164.36 25.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.1 t -158.5 143.67 16.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.461 ' CD1' HD22 ' A' ' 89' ' ' LEU . 17.7 mt -100.06 129.81 50.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -121.14 109.7 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.548 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -118.82 146.31 44.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.4 ' CG ' ' HB3' ' A' ' 32' ' ' LEU . 4.0 mmm180 -88.72 122.23 31.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.45 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 32.9 t80 -132.96 133.89 43.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.426 ' HG2' ' CD2' ' A' ' 58' ' ' TYR . 8.4 pt-20 36.38 38.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.88 49.35 29.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -146.88 156.05 42.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.8 0.334 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.5 t -107.99 92.6 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.503 ' CG ' HG13 ' A' ' 101' ' ' VAL . 76.4 m-85 -86.62 124.72 33.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.33 123.08 47.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.48 100.07 7.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -55.5 145.2 23.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' A' ' 77' ' ' VAL . 95.9 mt -103.48 118.63 50.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -93.11 138.29 31.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.8 m -113.51 137.83 51.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.8 p -90.57 170.15 10.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.59 -66.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.013 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -53.1 -54.78 30.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 137.84 62.32 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.431 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -116.3 132.5 56.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.2 m -100.4 140.9 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.467 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 10.5 p90 -171.2 118.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 67' ' ' ILE . 34.0 m -100.19 75.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 1.3 t -175.81 172.03 2.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -125.86 18.36 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -110.89 -31.6 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -156.3 174.43 15.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.408 ' HB2' ' NH1' ' A' ' 82' ' ' ARG . 26.7 mtm105 -127.14 158.75 36.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -122.22 163.79 18.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.7 m -85.35 -56.97 3.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.7 p -123.73 176.24 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.209 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' ALA . 11.6 tp -65.6 -56.78 10.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -34.11 -53.86 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -64.04 -54.58 31.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.551 ' C ' ' CD2' ' A' ' 89' ' ' LEU . 2.7 tt -38.97 -52.9 1.79 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.95 -55.47 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -52.02 -67.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -40.15 -56.06 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 95' ' ' THR . 3.0 m-70 -49.87 -39.53 39.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.7 m -44.15 -22.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.838 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 93' ' ' HIS . 71.4 m -88.67 -42.27 12.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.32 144.9 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.167 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -80.53 12.42 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.189 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -49.62 87.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 126.86 -47.23 1.03 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.552 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.4 mt -90.47 174.25 7.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.953 0.406 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.503 HG13 ' CG ' ' A' ' 63' ' ' TYR . 3.4 m -71.45 -28.23 31.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.455 ' N ' HG23 ' A' ' 101' ' ' VAL . 13.7 t -162.1 154.41 19.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.5 p -56.7 132.0 50.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.446 HD21 ' CG ' ' A' ' 40' ' ' PHE . 89.9 mt -55.6 109.13 0.51 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -78.25 -65.26 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -137.13 133.34 18.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.692 0.758 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.559 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.71 -176.1 1.36 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.731 2.287 . . . . 0.0 112.323 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.512 ' HB2' ' CD2' ' A' ' 20' ' ' HIS . . . -74.21 158.32 85.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.714 0.769 . . . . 0.0 111.072 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 158.73 55.93 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.724 2.283 . . . . 0.0 112.363 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -46.81 164.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.97 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 29.4 p -156.6 -178.9 7.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 38.53 38.8 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.34 84.08 2.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.803 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.9 p -150.62 128.78 11.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.734 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 101.31 137.4 9.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.505 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 93.9 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.6 m -97.4 84.66 3.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.4 p 42.47 42.31 2.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.767 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.418 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -149.71 129.94 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -109.97 166.39 10.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.85 -152.69 24.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -139.28 178.44 7.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 m -92.59 177.29 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.99 137.47 3.71 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.416 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.9 p -139.81 142.5 31.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.53 0.681 . . . . 0.0 111.122 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -17.81 37.16 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.718 2.278 . . . . 0.0 112.308 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' ASN . 30.6 m -41.33 163.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -35.79 152.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.8 m -124.14 114.56 19.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -117.76 22.17 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -91.42 48.17 1.45 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -47.32 -67.31 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -46.13 149.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.792 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 m -72.72 -49.47 30.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.5 p-90 -64.74 -41.88 95.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -62.52 113.81 3.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.542 ' CD2' ' HB3' ' A' ' 108' ' ' ALA . 4.7 m-70 -123.14 42.78 3.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . 36.77 -153.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 124.57 11.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.318 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.407 ' CG1' ' HB1' ' A' ' 27' ' ' ALA . 70.3 t -131.78 124.21 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 m -52.57 143.28 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -45.54 -56.6 4.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.9 p -57.34 -45.72 84.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.407 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -55.81 -47.43 77.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.59 -59.19 5.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.413 ' HG2' ' CG2' ' A' ' 62' ' ' VAL . 37.3 mt-10 -56.8 -54.98 40.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -51.94 -50.39 61.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 mt -53.82 -43.6 69.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 33' ' ' SER . 37.7 mt -67.18 -54.97 16.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' LEU . 60.0 p -34.16 -44.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -66.66 -49.24 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' LEU . 34.0 mt -71.27 157.01 38.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.508 ' CD1' ' N ' ' A' ' 38' ' ' GLY . 2.6 pp -59.0 154.89 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -75.68 47.46 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.808 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.508 ' N ' ' CD1' ' A' ' 36' ' ' ILE . . . -138.55 -18.08 0.56 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.554 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -88.61 160.69 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 110.824 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' A' ' 104' ' ' LEU . 29.5 p90 -129.52 173.01 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 pp -154.2 150.05 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.24 102.09 12.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -107.58 156.91 18.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -108.16 135.46 49.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.4 t -58.67 145.12 41.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -64.53 136.88 57.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.7 m 53.41 39.29 29.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 m -131.55 85.21 53.18 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.697 0.761 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 108.48 2.1 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.665 2.243 . . . . 0.0 112.415 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.37 -53.2 0.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -58.54 149.9 24.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.365 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt -145.36 170.11 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.2 m -150.74 134.09 16.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.2 mt -98.9 96.21 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.1 m -91.93 86.93 6.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.529 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -100.61 132.57 45.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.92 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -88.2 131.56 34.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -153.35 117.79 4.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 68.22 37.44 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.87 46.15 92.36 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.4 mtp85 -153.16 147.21 25.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.413 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 21.7 t -101.42 114.7 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.486 ' CE2' HG21 ' A' ' 101' ' ' VAL . 35.2 m-85 -108.43 127.84 54.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -106.94 148.18 28.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.476 ' CE2' HD21 ' A' ' 100' ' ' LEU . 91.7 m-85 -134.05 106.47 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -66.74 86.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.465 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 5.3 mp -43.01 99.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -60.35 154.02 21.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.62 146.47 39.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 p -103.52 114.03 27.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 51.75 25.01 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 t0 73.56 47.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.963 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.03 -99.57 0.32 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.447 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -56.72 155.12 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.51 ' CG2' ' N ' ' A' ' 86' ' ' LEU . 27.1 m -132.9 143.3 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 4.8 p90 -175.1 132.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 67' ' ' ILE . 34.5 m -103.76 73.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.165 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 2.6 t -178.67 167.1 1.76 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.02 -12.33 11.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -80.29 -46.94 15.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.0 p -130.72 -173.65 3.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 46.8 mtm180 -137.99 176.35 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 82' ' ' ARG . 43.1 m-85 -148.7 141.62 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.431 ' C ' HG22 ' A' ' 85' ' ' THR . 3.3 t -57.72 -58.48 8.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.431 HG22 ' C ' ' A' ' 84' ' ' SER . 21.1 p -141.57 175.06 9.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.51 ' N ' ' CG2' ' A' ' 75' ' ' VAL . 11.2 tp -47.0 -54.15 10.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -35.81 -51.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -72.12 -37.65 69.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.552 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 6.0 tt -57.54 -47.58 81.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 82.1 t -81.26 -36.59 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.182 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -68.18 -67.27 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -41.77 -50.49 4.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.784 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 11.2 m-70 -58.36 -44.38 88.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' HIS . 23.0 t -33.31 -37.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 93' ' ' HIS . 49.1 m -76.02 -52.4 10.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' HIS . 7.2 p -132.57 138.73 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 103' ' ' THR . . . -49.58 -41.85 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.496 ' HB3' ' CE1' ' A' ' 93' ' ' HIS . 8.0 t70 51.78 39.17 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.08 38.34 4.88 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.481 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.476 HD21 ' CE2' ' A' ' 65' ' ' TYR . 27.5 mt -131.38 147.67 52.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.954 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.529 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 9.3 p -39.18 -34.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.2 t -175.49 153.86 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 97' ' ' ALA . 3.7 p -62.34 142.1 57.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 17.7 mt -87.23 96.69 10.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -117.96 -24.01 7.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -112.47 80.77 3.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.549 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 55.1 Cg_endo -69.69 146.53 60.91 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.409 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.542 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . . . -38.55 134.46 0.97 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 111.104 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -168.69 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 111' ' ' CYS . 0.2 OUTLIER -74.63 123.81 25.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 110' ' ' LYS . 4.3 t -34.55 125.95 0.5 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.82 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.38 170.48 10.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -86.9 133.48 33.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.8 m -160.8 128.73 4.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.21 -169.63 9.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 160.74 48.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.293 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.9 t -163.48 122.78 2.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.8 t -102.62 175.13 5.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.98 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.5 p -156.92 129.14 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.826 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -119.06 142.43 47.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.11 -124.69 4.22 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m -81.06 118.39 22.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.873 0.368 . . . . 0.0 110.787 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 t -66.49 -56.12 12.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.47 60.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.425 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.406 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 29.7 p -123.09 97.16 43.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 111.132 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 8' ' ' THR . 52.7 Cg_endo -69.7 -14.73 36.7 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.301 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.7 p -170.4 152.67 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -50.22 150.25 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.2 m -123.15 136.45 54.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mp -133.49 92.34 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -112.46 99.55 8.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -113.93 -42.13 3.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 63.3 m-70 -77.15 145.75 37.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.814 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 m -63.99 -49.79 71.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.78 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.2 p-90 -60.36 -34.37 73.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -68.29 118.25 11.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -97.02 -48.95 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 132.3 -152.77 20.31 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.468 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 90.47 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.636 2.224 . . . . 0.0 112.404 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.45 HG12 ' CB ' ' A' ' 28' ' ' ALA . 89.9 t -122.38 135.47 62.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' SER . 24.8 t -86.63 137.14 32.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -33.36 -35.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' SER . 2.3 m -74.34 -51.34 15.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' SER . . . -60.09 -45.17 93.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.195 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.45 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -50.0 -70.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' ALA . 7.3 mt-10 -37.6 -47.52 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.11 -48.67 80.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.21 -45.97 91.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' A' ' 41' ' ' LEU . 4.2 mt -58.46 -42.91 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.3 t -43.0 -45.02 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.6 m -69.97 -48.79 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.783 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.473 HD21 ' CG ' ' A' ' 109' ' ' PRO . 42.1 mt -45.1 158.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.4 pt -45.5 169.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.186 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -82.21 43.73 0.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.73 66.18 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.449 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.4 p -131.71 148.6 52.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.382 . . . . 0.0 110.897 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' A' ' 104' ' ' LEU . 3.6 p90 -121.48 128.86 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.44 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 1.5 pp -126.34 156.97 39.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.8 t -122.04 106.12 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.4 ptt85 -94.41 179.46 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -140.44 164.7 29.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -108.25 136.29 48.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' SER . 19.5 mt-10 -82.13 -62.25 1.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' GLU . 7.2 t -34.59 -63.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.7 m -99.35 127.6 34.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.605 0.717 . . . . 0.0 110.836 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 162.43 42.11 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.48 42.62 26.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.454 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -123.14 92.48 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.7 mt -102.55 169.84 8.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.2 m -159.65 138.02 10.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.9 mt -101.66 86.94 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.0 m -83.81 96.71 8.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.766 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.618 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -108.04 137.77 45.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.939 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.423 ' HD3' ' CG2' ' A' ' 62' ' ' VAL . 6.4 mmm180 -96.44 139.1 33.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 60' ' ' GLY . 35.9 t80 -153.49 157.66 40.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' TYR . 19.1 mt-10 -34.47 93.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 146.56 -105.15 0.32 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.524 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.17 172.47 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.423 ' CG2' ' HD3' ' A' ' 57' ' ' ARG . 66.6 t -69.26 122.52 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CE2' ' CG2' ' A' ' 101' ' ' VAL . 11.4 m-85 -109.36 144.4 37.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -130.08 165.62 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -144.23 118.96 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' NE ' ' OD1' ' A' ' 68' ' ' ASN . 3.9 tmm_? -79.1 120.08 23.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.414 HG13 ' CG1' ' A' ' 77' ' ' VAL . 5.1 mp -77.05 128.2 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.43 ' OD1' ' NE ' ' A' ' 66' ' ' ARG . 48.1 m-20 -121.75 160.69 24.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.06 177.93 4.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.4 p -118.15 -75.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -124.65 -74.54 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.36 -60.59 2.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -176.61 34.6 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -86.81 111.17 20.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.386 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 m -77.11 146.99 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 76' ' ' TYR . 7.9 p90 -165.74 113.94 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.442 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 34.5 m -99.55 75.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 t -176.21 169.22 2.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.84 29.29 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -133.78 -40.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.9 p -132.35 -175.7 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -142.71 163.78 31.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -136.65 159.36 42.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.823 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.2 m -72.47 -65.41 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.9 p -125.53 174.16 8.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' ALA . 12.9 tp -60.32 -54.49 45.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -33.81 -48.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -74.8 -42.48 58.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 89' ' ' LEU . 4.2 tt -51.27 -41.7 60.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.468 HG12 ' CE1' ' A' ' 40' ' ' PHE . 57.8 t -82.65 -53.35 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 94' ' ' SER . 63.3 t60 -58.15 -64.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.77 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 91' ' ' HIS . 4.0 t60 -36.98 -55.12 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 95' ' ' THR . 5.7 m-70 -60.6 -34.9 74.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.812 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 91' ' ' HIS . 7.6 t -36.34 -33.86 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 93' ' ' HIS . 63.6 m -80.83 -53.89 6.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.471 HG21 ' N ' ' A' ' 97' ' ' ALA . 14.4 p -122.67 144.6 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -86.7 15.46 5.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -40.87 91.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 96.23 29.68 8.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' ALA . 82.6 mt -146.01 174.2 11.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.618 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 7.4 p -72.39 -38.13 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.6 t -172.2 138.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.444 HG22 ' CA ' ' A' ' 96' ' ' VAL . 21.6 p -42.35 126.15 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.593 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 71.8 mt -56.69 96.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -65.56 -71.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -125.58 132.61 24.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.514 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 52.5 Cg_endo -69.8 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.655 2.236 . . . . 0.0 112.345 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -156.46 135.51 7.88 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.659 0.742 . . . . 0.0 111.137 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.473 ' CG ' HD21 ' A' ' 35' ' ' LEU . 53.4 Cg_endo -69.8 -173.17 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.65 2.234 . . . . 0.0 112.309 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -98.92 148.44 23.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 31.3 p -78.58 47.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -102.05 -60.38 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -74.28 -25.18 59.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.7 m -71.53 125.42 27.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 145.3 143.85 4.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.547 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 173.73 10.51 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.4 p -79.53 82.13 5.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.6 m -151.23 174.39 13.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.451 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 16' ' ' HIS . 3.5 mmmm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.827 0.346 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 15' ' ' LYS . 36.6 m-70 -34.51 142.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 50.2 m -68.44 -47.52 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.453 ' N ' ' HB2' ' A' ' 107' ' ' PRO . 1.3 p-90 -66.19 -43.22 87.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.439 ' CB ' ' HB2' ' A' ' 16' ' ' HIS . 28.0 t80 -58.31 125.33 22.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -131.71 40.28 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 41.93 -153.33 0.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.552 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 122.59 9.27 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 27' ' ' ALA . 97.8 t -140.44 127.16 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.16 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -57.63 140.72 50.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 25' ' ' ARG . 6.2 tmm_? -40.68 -50.11 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.3 t -62.69 -49.65 74.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.5 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . . . -44.05 -45.43 8.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.79 -59.53 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.693 ' HG2' HG21 ' A' ' 62' ' ' VAL . 34.9 mt-10 -51.61 -49.62 61.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -57.88 -65.49 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 tt -42.59 -45.76 4.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 mt -51.33 -37.38 47.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.6 t -56.83 -25.56 56.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.3 t -90.67 35.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.795 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.5 mt -151.74 173.82 14.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.935 HD11 ' CD2' ' A' ' 106' ' ' TYR . 49.2 pt -70.39 176.73 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -84.66 43.65 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.36 39.53 0.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -110.96 142.5 42.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.771 ' CG ' HD22 ' A' ' 104' ' ' LEU . 2.8 p90 -131.87 127.8 37.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 pp -124.05 160.54 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.1 t -120.8 103.09 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.4 ptt85 -93.76 160.93 14.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -131.48 128.21 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -79.96 153.03 29.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -91.65 -53.71 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.6 m -40.62 -70.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.1 t -67.37 140.56 95.21 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.645 0.735 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 108.93 2.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.13 65.52 3.46 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.517 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -112.24 105.1 13.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.6 mt -97.54 168.94 10.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.9 t -168.81 136.33 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.7 mt -103.36 107.29 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -114.31 103.24 10.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.899 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.3 OUTLIER -105.82 135.67 46.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.894 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' N ' HD12 ' A' ' 56' ' ' LEU . 8.7 tpt180 -82.43 140.22 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.615 ' CD2' HG21 ' A' ' 102' ' ' THR . 4.5 t80 -161.6 128.13 3.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 4.7 tt0 50.16 40.45 21.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.45 38.29 93.39 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -145.01 149.36 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.353 . . . . 0.0 110.893 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.693 HG21 ' HG2' ' A' ' 29' ' ' GLU . 85.3 t -113.4 106.56 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.633 ' CE2' HG21 ' A' ' 101' ' ' VAL . 89.7 m-85 -86.47 115.99 24.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -88.76 137.71 32.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -131.19 82.18 2.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -61.93 104.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 67' ' ' ILE . 4.6 mp -57.67 126.57 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -85.17 175.41 8.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.6 m -140.47 135.09 31.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 75.8 p -92.42 165.54 13.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.81 -48.73 10.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.114 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -64.93 -62.99 1.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.77 43.39 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -103.99 164.71 11.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.443 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 17.3 m -123.67 135.83 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.428 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 11.5 p90 -167.8 123.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.704 ' O ' HG23 ' A' ' 77' ' ' VAL . 34.2 m -106.35 74.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -177.52 166.55 2.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.11 3.78 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -89.85 -45.58 9.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.35 -174.93 4.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -131.47 165.71 22.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -128.9 156.24 44.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.7 p -73.84 -62.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.8 p -122.43 176.08 6.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' LEU . 17.7 tp -63.43 -54.91 29.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.986 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -37.65 -46.45 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -68.91 -35.79 77.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.559 HD23 ' C ' ' A' ' 89' ' ' LEU . 7.4 tt -58.32 -48.35 80.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.823 HG13 HD13 ' A' ' 104' ' ' LEU . 93.7 t -79.54 -39.95 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -59.04 -61.82 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -53.66 -53.81 46.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.9 m170 -52.82 -47.45 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' HIS . 35.6 t -35.44 -40.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.1 m -74.11 -59.02 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.5 p -125.34 136.97 59.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.47 71.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 t70 51.81 40.21 27.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.85 -49.83 0.87 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.44 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.3 mt -48.45 173.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.899 ' CG1' HD21 ' A' ' 56' ' ' LEU . 10.6 p -70.03 -32.22 50.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.615 HG21 ' CD2' ' A' ' 58' ' ' TYR . 64.0 p -159.01 -176.25 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.3 p -95.64 109.81 22.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.823 HD13 HG13 ' A' ' 90' ' ' VAL . 40.7 mt -47.02 101.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -110.76 -53.0 2.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.935 ' CD2' HD11 ' A' ' 36' ' ' ILE . 25.1 m-85 -104.66 93.04 5.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.713 0.768 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.76 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.554 0.693 . . . . 0.0 111.099 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.823 0.344 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -66.32 157.51 31.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -79.47 -44.89 20.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.756 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -66.58 -37.75 85.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -70.49 102.91 2.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -107.2 40.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 43.71 -156.85 0.16 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.543 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 121.42 8.1 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.761 2.307 . . . . 0.0 112.247 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -136.2 131.9 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.5 t -60.42 150.83 29.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -51.18 -66.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.0 p -44.44 -41.1 5.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.26 -57.95 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.22 -58.59 2.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.575 ' HG2' HG21 ' A' ' 62' ' ' VAL . 10.6 mt-10 -46.74 -56.33 6.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -55.77 -43.3 76.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.518 ' O ' HD13 ' A' ' 31' ' ' LEU . 1.4 tm? -59.73 -34.26 72.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 mt -70.77 -44.34 66.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 p -56.37 -27.29 55.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -87.68 34.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.1 mt -149.44 165.78 31.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.2 pt -52.34 177.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -85.25 44.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.25 51.06 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.559 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 m -116.86 148.23 41.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.901 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.81 ' CG ' HD22 ' A' ' 104' ' ' LEU . 8.4 p90 -127.46 148.48 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -144.28 153.23 41.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.485 ' N ' HD12 ' A' ' 41' ' ' LEU . 98.2 t -118.17 128.28 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.052 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 -122.86 -179.23 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -154.1 140.11 18.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.486 ' CB ' ' CD ' ' A' ' 51' ' ' GLN . 9.5 t -79.65 150.49 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -87.09 -56.68 3.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 m -79.85 60.39 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -160.86 156.26 21.25 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.59 0.71 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.2 Cg_endo -69.82 86.98 0.57 Allowed 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.679 2.253 . . . . 0.0 112.315 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' PRO . . . 34.68 52.12 0.8 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.486 ' CD ' ' CB ' ' A' ' 45' ' ' SER . 7.9 pt20 -75.8 167.3 22.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.525 ' C ' HD13 ' A' ' 67' ' ' ILE . 96.0 mt -156.41 143.03 18.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.8 m -149.23 142.48 25.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.472 HG12 HG22 ' A' ' 42' ' ' VAL . 68.0 mt -104.91 111.58 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 m -108.74 122.15 46.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.813 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -128.8 143.11 50.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.548 ' N ' HD12 ' A' ' 56' ' ' LEU . 22.5 tpp85 -83.68 111.48 19.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.771 ' HB2' HD11 ' A' ' 56' ' ' LEU . 47.6 t80 -126.09 111.83 15.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 63.95 39.22 8.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.89 -5.25 25.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.575 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -103.15 152.88 20.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.4 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.575 HG21 ' HG2' ' A' ' 29' ' ' GLU . 20.1 t -100.65 126.08 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.558 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 94.2 m-85 -115.95 124.38 50.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.944 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.438 ' ND1' ' C ' ' A' ' 64' ' ' HIS . 1.5 p80 -102.67 143.8 31.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.47 ' OH ' HG13 ' A' ' 101' ' ' VAL . 3.5 m-85 -134.99 103.99 5.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.559 ' O ' HG12 ' A' ' 77' ' ' VAL . 2.5 mmm180 -63.91 143.03 58.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.577 ' CG2' HG12 ' A' ' 75' ' ' VAL . 4.4 mp -95.14 119.74 43.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -88.08 127.0 35.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.2 m -103.44 145.91 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.9 p -102.89 173.09 6.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.84 -54.29 5.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -65.8 -66.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.04 46.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -98.49 130.14 45.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.905 0.384 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.577 HG12 ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -97.76 138.2 23.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.65 ' HA ' HD12 ' A' ' 89' ' ' LEU . 15.2 p90 -171.32 122.03 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 66' ' ' ARG . 21.3 m -98.6 76.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.086 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -174.55 172.03 3.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.424 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -125.96 29.43 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -128.31 -29.96 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 t -153.82 -175.6 5.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.4 mtm105 -135.21 173.66 11.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -137.35 144.29 42.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.492 ' OG ' HG23 ' A' ' 85' ' ' THR . 1.0 OUTLIER -50.34 -65.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.492 HG23 ' OG ' ' A' ' 84' ' ' SER . 29.2 p -142.17 171.4 14.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 tp -43.7 -52.24 6.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.958 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.34 -58.86 1.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.189 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.86 -38.57 91.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.68 HD23 ' N ' ' A' ' 90' ' ' VAL . 5.1 tt -55.37 -61.45 2.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.68 ' N ' HD23 ' A' ' 89' ' ' LEU . 95.8 t -65.87 -46.53 88.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -58.09 -66.45 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -44.82 -44.65 9.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.797 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -52.72 -39.88 62.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -40.63 -38.85 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.0 m -78.14 -60.82 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 p -123.5 142.87 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.32 -61.92 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.5 t0 47.81 51.16 14.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 138.02 -67.96 0.52 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 100' ' ' LEU . 7.5 mp -53.03 -178.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.368 . . . . 0.0 110.826 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.56 HG22 HD21 ' A' ' 56' ' ' LEU . 2.8 m -82.02 -28.33 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.111 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.2 t -161.53 154.54 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.8 p -58.15 125.77 24.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.232 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.81 HD22 ' CG ' ' A' ' 40' ' ' PHE . 70.8 mt -55.24 114.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -82.88 -60.04 2.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -139.57 135.24 16.74 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.795 0.807 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.414 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.77 -164.63 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.664 2.242 . . . . 0.0 112.307 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 121.638 0.732 . . . . 0.0 111.101 179.893 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.6 mttm . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.887 0.375 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.497 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 7.8 m80 -41.76 147.44 0.2 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.9 t -72.95 -47.43 45.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.9 p-90 -59.29 -43.04 92.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -59.23 137.62 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -124.18 -51.83 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.93 -156.28 22.79 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 86.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.362 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.6 t -101.74 137.62 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.217 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.5 m -70.11 164.68 23.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -56.59 -66.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -56.88 -44.45 82.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.63 -53.67 17.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.9 -60.45 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.59 ' HG2' HG21 ' A' ' 62' ' ' VAL . 48.6 mt-10 -53.58 -52.57 59.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -42.9 -69.93 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -38.95 -52.0 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.008 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.3 mt -55.35 -43.82 75.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -43.37 -42.43 4.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.8 m -70.56 -47.59 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.795 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.3 mt -59.42 173.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.99 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.9 pt -84.47 -175.82 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -50.13 60.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.16 62.46 2.57 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.405 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -138.89 160.38 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.803 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.541 ' CE2' ' HB3' ' A' ' 104' ' ' LEU . 3.1 p90 -158.9 159.81 35.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 42' ' ' VAL . 1.2 pp -152.48 160.16 43.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.466 ' N ' HD12 ' A' ' 41' ' ' LEU . 21.8 t -128.48 104.58 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 -95.24 155.68 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -119.66 148.28 43.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -78.01 147.08 35.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -85.4 -70.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 61.3 p -73.88 -58.7 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -41.48 162.78 0.12 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.731 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -162.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.274 . . . . 0.0 112.251 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.68 65.08 1.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -112.2 86.95 2.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mp -84.07 167.66 16.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.6 t -162.08 142.02 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.437 HG12 HG22 ' A' ' 42' ' ' VAL . 17.4 mt -99.84 104.21 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.2 m -93.89 100.75 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.75 HD21 ' HB ' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -109.65 137.0 48.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.418 ' HG2' HG22 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -97.35 100.36 11.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.656 ' HB2' HD11 ' A' ' 56' ' ' LEU . 92.7 t80 -111.26 157.23 20.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -38.45 96.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 140.74 -98.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.451 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 60' ' ' GLY . 2.8 mpt_? -133.32 166.51 22.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.832 0.349 . . . . 0.0 110.832 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.59 HG21 ' HG2' ' A' ' 29' ' ' GLU . 46.3 t -75.75 122.72 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.867 ' CD2' HG21 ' A' ' 101' ' ' VAL . 9.4 m-85 -106.06 144.07 33.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -124.19 124.17 41.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.948 ' OH ' HG23 ' A' ' 101' ' ' VAL . 62.1 m-85 -100.28 101.29 12.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -67.49 105.2 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 67' ' ' ILE . 3.5 mp -56.36 133.63 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -92.35 154.18 18.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.825 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.4 m -136.96 131.79 33.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.2 p -91.56 -177.22 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.81 -55.57 32.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.73 -61.3 2.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.73 59.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -117.89 140.31 49.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.77 0.319 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.4 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 32.7 m -108.67 132.16 57.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.154 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.445 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 27.1 p90 -167.07 121.53 1.04 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.818 HG13 HD11 ' A' ' 89' ' ' LEU . 29.7 m -99.81 75.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.044 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -176.65 148.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.05 12.17 37.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -99.02 -46.81 5.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -142.79 177.43 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.909 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.445 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 38.8 mtm-85 -125.37 161.38 27.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.471 ' CD2' ' HA ' ' A' ' 89' ' ' LEU . 48.4 m-85 -125.82 169.24 12.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.4 m -98.81 -41.92 7.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.4 p -128.92 161.49 29.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.176 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 87' ' ' ALA . 29.4 tp -60.05 -53.55 56.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -35.79 -41.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -71.31 -47.41 56.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.818 HD11 HG13 ' A' ' 77' ' ' VAL . 1.6 tt -48.66 -35.82 14.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.635 ' O ' HD12 ' A' ' 104' ' ' LEU . 58.5 t -90.78 -44.85 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.498 ' O ' ' CB ' ' A' ' 94' ' ' SER . 7.3 t-160 -64.82 -60.71 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.808 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -39.15 -49.55 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -83.98 33.67 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 25.7 t -99.2 -12.81 20.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -103.89 -36.48 7.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.491 HG21 ' OD2' ' A' ' 98' ' ' ASP . 7.7 p -130.53 156.66 42.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -92.33 13.57 18.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.491 ' OD2' HG21 ' A' ' 96' ' ' VAL . 22.6 m-20 -54.82 83.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 128.17 -32.79 3.33 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.0 mt -107.58 173.56 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.342 . . . . 0.0 110.921 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.948 HG23 ' OH ' ' A' ' 65' ' ' TYR . 13.0 t -64.68 -50.85 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.6 t -140.94 161.81 36.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.475 HG22 ' CA ' ' A' ' 96' ' ' VAL . 0.9 OUTLIER -67.12 111.15 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.052 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 90' ' ' VAL . 51.6 mt -46.45 112.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.402 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 5.0 m170 -113.75 -60.63 1.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -104.29 93.89 6.23 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-O 121.663 0.744 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.493 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 54.2 Cg_endo -69.78 -31.57 20.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.347 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.643 0.735 . . . . 0.0 111.128 179.889 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 mttm . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.853 0.359 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -68.56 152.83 44.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.2 m -80.84 -33.89 34.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.451 ' CE3' HG21 ' A' ' 42' ' ' VAL . 7.7 p-90 -78.17 -33.19 50.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -68.23 88.73 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.01 -61.02 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.1 -101.98 1.68 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.386 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 82.86 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.249 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.6 t -120.56 131.14 73.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.0 t -80.54 152.63 28.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.77 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -42.46 -60.26 1.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.9 t -57.08 -54.69 43.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.49 -51.61 6.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.3 -58.28 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.524 ' HG2' HG21 ' A' ' 62' ' ' VAL . 35.0 mt-10 -64.27 -59.17 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -44.18 -63.83 0.8 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.18 -53.72 2.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' SER . 57.5 mt -51.54 -59.07 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' LEU . 23.1 t -35.29 -49.47 0.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.9 m -57.25 -47.58 81.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' LEU . 11.2 mt -59.71 -178.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.743 HD11 ' CD2' ' A' ' 106' ' ' TYR . 30.1 pt -75.72 170.03 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -79.14 52.47 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.834 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.53 39.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.504 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -112.66 158.44 20.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 7.8 p90 -131.31 155.49 47.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -145.56 159.97 42.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.564 ' N ' HD12 ' A' ' 41' ' ' LEU . 29.5 t -128.89 116.82 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -117.76 160.54 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HA ' HD23 ' A' ' 52' ' ' LEU . 4.7 tp10 -94.69 138.69 32.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.0 t -60.08 148.96 33.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.98 -45.53 49.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.5 p -47.16 -65.61 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.5 m -129.07 143.46 48.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.732 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.87 8.96 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -98.68 -46.36 2.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -61.01 157.71 14.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.458 ' CB ' HD13 ' A' ' 67' ' ' ILE . 24.3 mt -142.61 168.85 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.9 t -157.02 141.74 16.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.4 mt -102.93 98.34 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.185 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 m -93.68 97.95 10.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.988 HD21 HG12 ' A' ' 101' ' ' VAL . 0.6 OUTLIER -115.68 144.22 44.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.409 ' N ' HD12 ' A' ' 56' ' ' LEU . 15.6 tpp180 -93.77 142.72 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -167.55 128.91 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 51.9 43.2 30.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.94 36.17 92.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -140.04 152.25 46.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.524 HG21 ' HG2' ' A' ' 29' ' ' GLU . 25.2 t -116.55 101.27 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.875 ' CE2' HG21 ' A' ' 101' ' ' VAL . 99.2 m-85 -85.55 143.24 28.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -126.43 109.95 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.838 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.532 ' CE2' HD23 ' A' ' 100' ' ' LEU . 28.4 m-85 -96.77 110.48 22.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -76.68 93.27 3.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.749 ' H ' HD12 ' A' ' 67' ' ' ILE . 5.4 mp -48.14 111.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.164 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -75.18 164.71 26.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.3 m -137.81 136.45 37.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.6 p -89.03 176.27 7.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.93 78.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.039 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.45 -53.61 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 135.85 53.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -116.66 150.96 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.8 m -114.03 139.7 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 5.8 p90 -173.06 122.45 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.739 ' O ' HG23 ' A' ' 77' ' ' VAL . 32.7 m -105.51 76.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 1.7 t -175.31 176.7 1.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -128.12 4.65 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -95.73 -33.67 12.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m -155.49 -175.04 5.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 27.9 mtm-85 -132.11 170.74 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -137.98 160.13 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.4 p -79.78 -61.94 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.7 p -120.24 175.04 6.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 89' ' ' LEU . 10.7 tp -67.31 -49.41 64.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.64 -43.77 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.205 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -75.49 -34.75 60.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.78 HD23 ' C ' ' A' ' 89' ' ' LEU . 1.5 tt -58.81 -46.41 87.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.53 ' N ' HD23 ' A' ' 89' ' ' LEU . 38.4 t -77.56 -47.42 26.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 94' ' ' SER . 51.4 t60 -56.01 -67.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 91' ' ' HIS . 6.3 t-80 -36.61 -58.71 0.71 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -49.9 -37.49 31.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' HIS . 12.0 t -43.34 -29.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.4 m -84.11 -54.07 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.0 p -132.69 136.57 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.432 ' N ' HG22 ' A' ' 103' ' ' THR . . . -56.71 -44.43 81.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 30.9 t70 61.07 25.99 15.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.4 4.23 27.05 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.532 HD23 ' CE2' ' A' ' 65' ' ' TYR . 17.9 mt -90.07 142.51 27.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.988 HG12 HD21 ' A' ' 56' ' ' LEU . 4.8 p -33.82 -36.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.042 0.448 . . . . 0.0 111.202 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.691 HG22 HG13 ' A' ' 101' ' ' VAL . 13.5 t -173.76 149.64 1.6 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.151 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 97' ' ' ALA . 4.7 p -61.7 134.16 56.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.575 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 4.6 mt -77.36 88.87 3.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -110.91 -16.68 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.743 ' CD2' HD11 ' A' ' 36' ' ' ILE . 69.6 m-85 -127.43 84.38 63.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.69 0.757 . . . . 0.0 110.886 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.533 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.84 -177.42 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.677 0.751 . . . . 0.0 111.045 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.855 0.36 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -73.53 158.38 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.9 m -83.89 -39.16 20.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -73.38 -27.94 61.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -75.68 111.72 11.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.496 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.2 m-70 -116.32 40.88 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 41.58 -157.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.524 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 93.9 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 20' ' ' HIS . 91.0 t -94.88 136.67 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' ARG . 47.6 t -66.68 136.12 55.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' SER . 16.7 ttt85 -36.71 -65.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.787 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.3 t -47.11 -50.01 20.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' TYR . . . -52.74 -52.94 54.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.089 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.11 -40.06 3.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.808 ' HG2' HG21 ' A' ' 62' ' ' VAL . 25.5 mt-10 -83.11 -21.99 33.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' ALA . 37.0 t80 -74.24 -54.25 8.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.85 -53.49 48.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.5 -36.43 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -60.31 -28.79 68.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.0 t -98.59 27.81 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.808 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.3 mt -141.82 161.23 38.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.796 HD12 ' H ' ' A' ' 38' ' ' GLY . 2.7 pp -49.2 162.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -80.56 50.7 1.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.796 ' H ' HD12 ' A' ' 36' ' ' ILE . . . -168.61 31.83 0.18 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.429 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -108.59 141.53 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.822 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 107' ' ' PRO . 4.6 p90 -121.27 155.66 34.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -148.86 157.86 43.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.625 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.3 t -127.27 108.13 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -103.77 178.58 4.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -132.14 121.37 23.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -56.28 135.92 53.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -83.54 165.77 18.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m 40.78 42.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.6 p -132.99 146.43 61.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.726 0.774 . . . . 0.0 110.783 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.8 87.58 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.236 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 43.63 55.91 5.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.46 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -111.59 123.34 50.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.493 ' HB2' HD12 ' A' ' 67' ' ' ILE . 7.0 mt -112.9 170.21 8.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.4 m -164.45 151.23 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.9 mt -114.38 126.97 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.076 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.1 m -119.98 113.05 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.797 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -120.69 144.39 48.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.544 ' N ' HD12 ' A' ' 56' ' ' LEU . 8.5 tpt180 -91.39 137.61 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 61' ' ' ARG . 23.2 t80 -156.15 147.65 22.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' TYR . 5.8 pt-20 35.82 41.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.87 42.83 99.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' TYR . 76.9 mtt180 -148.88 150.11 32.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.808 HG21 ' HG2' ' A' ' 29' ' ' GLU . 18.6 t -106.5 106.96 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.807 ' CE1' HG21 ' A' ' 101' ' ' VAL . 55.0 m-85 -85.85 155.41 20.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -127.5 144.55 51.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.56 ' OH ' HG12 ' A' ' 101' ' ' VAL . 58.0 m-85 -144.68 114.55 7.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -81.04 114.86 20.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.51 HD13 ' CD1' ' A' ' 86' ' ' LEU . 33.9 mt -68.44 109.62 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -71.85 -175.67 1.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.87 131.78 6.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 74' ' ' LYS . 9.2 t -134.6 -175.41 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 70' ' ' THR . . . -36.19 142.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 62.13 26.12 15.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.784 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 44.72 62.87 2.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.466 ' HB2' ' CG2' ' A' ' 70' ' ' THR . 38.3 mttm -99.11 122.07 41.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.5 m -94.37 137.01 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.784 ' HA ' HD12 ' A' ' 89' ' ' LEU . 12.0 p90 -174.49 121.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.606 ' O ' HG23 ' A' ' 77' ' ' VAL . 30.7 m -101.28 76.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -174.49 173.11 2.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -127.2 19.51 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.051 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -117.57 -29.24 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 78' ' ' THR . 1.7 t -153.01 171.36 18.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.544 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 94.1 mtm-85 -129.69 173.68 10.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -138.03 165.58 26.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.6 m -80.23 -60.46 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.1 p -131.22 -177.33 4.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.076 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.51 ' CD1' HD13 ' A' ' 67' ' ' ILE . 10.8 tp -64.38 -56.66 12.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.72 -42.23 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -75.48 -35.21 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.819 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 76' ' ' TYR . 7.0 tt -64.01 -48.49 76.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.46 ' O ' HD12 ' A' ' 104' ' ' LEU . 54.5 t -76.4 -29.12 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -70.97 -67.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -45.77 -51.03 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -46.61 -46.23 19.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -44.07 -42.7 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.3 m -71.24 -50.67 30.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.2 p -134.47 139.03 48.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.24 -63.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.5 t70 68.67 38.02 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 116.32 -32.89 5.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.12 158.59 10.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.807 HG21 ' CE1' ' A' ' 63' ' ' TYR . 4.3 p -56.38 -34.91 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.6 t -167.08 155.72 10.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -65.9 110.92 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.22 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 90' ' ' VAL . 24.9 mt -35.91 101.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -72.99 -71.07 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -130.37 134.47 26.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.668 0.747 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.49 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.83 -177.35 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.739 2.293 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 121.551 0.691 . . . . 0.0 111.139 179.865 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.824 0.345 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.457 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 23.1 m-70 -69.4 142.91 53.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.3 m -64.87 -46.76 80.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.788 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.606 ' HA ' ' HB3' ' A' ' 108' ' ' ALA . 6.2 p-90 -63.36 -41.0 98.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.05 102.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -89.9 -42.05 11.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.03 -112.82 4.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.401 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 89.78 0.52 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.735 2.29 . . . . 0.0 112.378 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 43' ' ' ARG . 81.9 t -135.35 121.52 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -72.86 174.38 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 26' ' ' SER . 39.8 ptt180 -69.01 -49.06 61.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 50.3 m -68.09 -38.68 82.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.76 -52.01 65.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . -54.96 -59.92 4.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -51.68 -44.65 63.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -59.25 -41.86 89.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -53.54 52.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.992 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' A' ' 35' ' ' LEU . 36.1 mt -45.83 -48.01 15.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.943 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 t -49.34 -43.73 43.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.5 t -65.05 -48.16 74.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 32' ' ' LEU . 32.5 mt -53.96 176.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.481 HD11 ' HD2' ' A' ' 106' ' ' TYR . 14.7 pt -68.23 178.42 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -83.34 39.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.55 73.28 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -146.97 150.89 36.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.939 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 104' ' ' LEU . 1.7 p90 -125.99 151.62 46.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 42' ' ' VAL . 1.6 pp -138.42 164.05 30.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.622 HG22 HG12 ' A' ' 54' ' ' ILE . 98.8 t -131.89 112.68 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.465 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . 31.4 ptt85 -109.71 177.07 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -115.52 130.87 57.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 48' ' ' SER . 59.3 m -70.88 124.24 23.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.79 -56.34 6.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 m -64.57 -34.91 79.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 45' ' ' SER . 24.1 m -97.51 102.94 14.19 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.653 0.739 . . . . 0.0 110.838 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 150.44 68.71 Favored 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.758 2.305 . . . . 0.0 112.318 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 52.69 21.77 10.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.465 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -120.09 137.56 54.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.35 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.536 HD13 HD22 ' A' ' 86' ' ' LEU . 21.1 mt -117.55 167.38 11.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.4 m -146.32 139.74 25.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.622 HG12 HG22 ' A' ' 42' ' ' VAL . 70.6 mt -108.2 88.67 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -84.39 104.28 14.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.019 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -114.76 124.73 52.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.423 ' CZ ' ' HA2' ' A' ' 60' ' ' GLY . 10.3 tpt85 -76.01 127.64 33.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.604 ' CD2' HG21 ' A' ' 102' ' ' THR . 42.5 t80 -164.23 136.26 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.501 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 4.8 mm-40 62.18 29.52 17.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.423 ' HA2' ' CZ ' ' A' ' 57' ' ' ARG . . . 87.32 -75.34 2.16 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -57.78 144.29 38.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.16 125.61 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.871 ' CE2' HG21 ' A' ' 101' ' ' VAL . 26.5 m-85 -101.24 144.41 30.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 65' ' ' TYR . 1.6 p80 -124.83 174.99 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 64' ' ' HIS . 95.4 m-85 -160.84 105.4 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -76.65 94.32 3.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.658 ' H ' HD12 ' A' ' 67' ' ' ILE . 3.6 mp -44.02 140.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -97.6 -177.46 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.4 m -157.54 138.99 13.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.7 p -100.44 174.98 5.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.206 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.39 -50.72 9.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.3 -59.53 3.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.2 44.31 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -99.67 122.1 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 34.3 m -89.98 136.42 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.073 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.507 ' HA ' HD12 ' A' ' 89' ' ' LEU . 9.9 p90 -172.38 120.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 77' ' ' VAL . 35.6 m -98.19 76.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 t -175.03 170.78 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.15 9.61 9.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.186 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -101.84 -43.64 5.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -142.36 -175.08 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.768 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.411 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 78.3 mtm180 -132.26 178.16 7.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.773 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -145.89 151.7 38.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.61 ' OG ' HG23 ' A' ' 85' ' ' THR . 1.1 t -63.45 -64.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.803 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.61 HG23 ' OG ' ' A' ' 84' ' ' SER . 14.4 p -135.08 179.07 6.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.536 HD22 HD13 ' A' ' 52' ' ' LEU . 11.6 tp -54.28 -56.54 17.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -34.17 -47.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -78.27 -38.6 42.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 89' ' ' LEU . 6.8 tt -53.63 -38.47 64.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.623 HG13 ' CD1' ' A' ' 104' ' ' LEU . 96.3 t -89.43 -59.95 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -46.92 -49.53 20.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -61.14 -56.94 14.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -51.62 -31.69 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 t -53.76 -16.29 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 m -92.98 -37.48 12.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.563 HG22 ' H ' ' A' ' 98' ' ' ASP . 14.7 p -139.66 143.75 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -79.77 12.73 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.563 ' H ' HG22 ' A' ' 96' ' ' VAL . 3.9 t0 -37.46 93.15 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 80.8 39.7 13.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 97' ' ' ALA . 28.2 mt -149.86 163.74 37.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.858 0.361 . . . . 0.0 110.982 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 1.019 ' CG1' HD21 ' A' ' 56' ' ' LEU . 5.8 p -64.69 -40.49 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.604 HG21 ' CD2' ' A' ' 58' ' ' TYR . 4.9 t -165.69 155.58 12.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 105' ' ' HIS . 5.8 p -61.03 109.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.094 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.623 ' CD1' HG13 ' A' ' 90' ' ' VAL . 49.4 mt -38.39 92.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 103' ' ' THR . 15.4 m170 -59.58 -69.6 0.2 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.481 ' HD2' HD11 ' A' ' 36' ' ' ILE . 29.3 m-85 -132.52 135.08 25.61 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.71 0.767 . . . . 0.0 110.903 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.439 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.72 -178.95 2.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.755 2.303 . . . . 0.0 112.347 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.606 ' HB3' ' HA ' ' A' ' 18' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 111.066 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.853 0.359 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -94.24 163.47 13.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.705 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 5.1 m -86.61 -37.89 17.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.466 ' CA ' ' HB2' ' A' ' 107' ' ' PRO . 1.1 p-90 -78.88 -38.87 36.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -63.14 140.53 58.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -121.77 -33.36 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.28 -147.46 18.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 85.52 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.632 2.221 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.27 149.24 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 27' ' ' ALA . 13.1 t -102.37 143.37 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -38.76 -46.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.814 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 t -65.44 -40.61 93.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.789 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 24' ' ' SER . . . -68.43 -61.82 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.435 ' HB3' HH11 ' A' ' 43' ' ' ARG . . . -40.61 -54.99 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -53.86 -41.82 67.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' SER . 2.5 t80 -64.93 -60.35 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.446 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -41.73 -45.76 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.985 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.597 ' CD1' HD23 ' A' ' 41' ' ' LEU . 20.5 mt -77.46 -25.62 50.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.922 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' TYR . 37.2 t -73.47 1.91 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.6 m -121.11 27.22 8.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.7 mt -136.41 -177.35 4.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.647 HD11 ' CD2' ' A' ' 106' ' ' TYR . 24.2 pt -69.42 -178.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -93.29 39.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.55 52.77 0.42 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.393 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.4 m -135.99 158.32 44.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 104' ' ' LEU . 7.0 p90 -141.11 161.35 38.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -149.69 156.27 41.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.635 ' N ' HD12 ' A' ' 41' ' ' LEU . 92.4 t -122.89 102.58 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.435 HH11 ' HB3' ' A' ' 28' ' ' ALA . 23.8 ptt180 -96.97 172.14 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.548 ' HG3' HD23 ' A' ' 52' ' ' LEU . 33.2 tt0 -111.28 122.87 48.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.8 t -39.2 142.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -91.4 -57.94 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.7 t -54.59 -55.64 27.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.799 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 t -94.34 115.96 65.85 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.689 0.757 . . . . 0.0 110.829 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 125.51 12.25 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.676 2.25 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.18 -38.73 3.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -55.73 156.49 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.852 ' HB2' HD12 ' A' ' 67' ' ' ILE . 8.3 mt -137.51 168.7 19.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 m -162.48 146.14 11.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.426 HD11 HD21 ' A' ' 89' ' ' LEU . 20.0 mt -102.28 99.08 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.9 m -91.59 102.45 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.694 HD21 ' HB ' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -104.82 138.42 41.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -96.51 104.45 16.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.674 ' HB2' HD11 ' A' ' 56' ' ' LEU . 89.8 t80 -116.96 157.01 26.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' TYR . 22.8 mt-10 -38.08 95.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.826 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 140.38 -99.56 0.25 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.541 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -131.69 167.67 19.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.2 t -74.33 123.11 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.654 ' CD2' HG21 ' A' ' 101' ' ' VAL . 12.5 m-85 -109.29 121.51 45.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -101.14 142.29 32.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.893 ' OH ' HG23 ' A' ' 101' ' ' VAL . 89.5 m-85 -120.17 89.48 3.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -47.43 141.68 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.852 HD12 ' HB2' ' A' ' 52' ' ' LEU . 64.7 mt -102.0 124.02 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -86.03 -174.98 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.5 m -155.99 138.53 14.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.7 p -89.46 175.0 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.67 -51.73 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.039 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.97 -69.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.826 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 163.98 45.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.535 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -101.35 124.49 47.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.382 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.2 m -97.74 146.24 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 13.6 p90 -174.74 120.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 77' ' ' VAL . 32.8 m -96.5 76.34 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -175.12 169.46 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.413 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -123.67 27.31 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -126.92 -41.15 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -135.98 -175.71 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.579 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 43.3 mtm-85 -139.87 176.36 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -141.73 173.47 11.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.1 p -91.45 -63.08 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.8 p -122.73 172.59 8.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.43 -47.8 82.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 91' ' ' HIS . . . -44.76 -43.2 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -74.42 -35.16 63.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.79 HD23 ' C ' ' A' ' 89' ' ' LEU . 1.6 tt -59.74 -49.23 78.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.577 ' N ' HD23 ' A' ' 89' ' ' LEU . 47.4 t -79.69 -33.69 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.4 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 45.7 t60 -65.48 -59.06 4.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -51.53 -51.19 57.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.47 ' CD2' HD11 ' A' ' 100' ' ' LEU . 12.8 m-70 -52.26 -33.29 41.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 t -52.24 -28.27 18.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.2 m -83.55 -47.01 11.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.059 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 98' ' ' ASP . 7.8 p -141.4 144.22 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -51.55 -47.17 63.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.42 ' HB3' ' CE1' ' A' ' 93' ' ' HIS . 31.4 t70 52.6 33.56 13.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.814 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.27 41.52 2.05 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 93' ' ' HIS . 69.4 mt -140.59 149.67 42.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 0.0 110.897 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.893 HG23 ' OH ' ' A' ' 65' ' ' TYR . 44.4 t -36.69 -45.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.9 t -174.69 143.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 p -43.18 158.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 10.3 mt -91.23 124.15 35.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -106.12 -66.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.647 ' CD2' HD11 ' A' ' 36' ' ' ILE . 15.3 m-85 -109.06 108.58 60.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.641 0.734 . . . . 0.0 110.964 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.501 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.3 Cg_endo -69.82 -38.59 7.45 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.687 2.258 . . . . 0.0 112.407 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.094 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 mttm . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.73 0.3 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -45.32 164.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -97.72 -25.06 15.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.789 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.48 ' CD2' HG11 ' A' ' 90' ' ' VAL . 2.2 p-90 -89.25 -29.96 18.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -78.4 110.46 13.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.952 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -103.78 -44.25 5.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.812 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.56 -108.08 3.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 95.53 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.383 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.406 ' O ' ' CZ ' ' A' ' 43' ' ' ARG . 59.8 t -130.24 123.68 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.7 m -66.75 143.82 56.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -43.42 -45.58 6.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.5 m -69.0 -61.28 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.64 -41.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.34 -62.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.075 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.817 ' HG2' HG21 ' A' ' 62' ' ' VAL . 32.4 mt-10 -57.08 -49.88 74.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -51.78 -61.29 2.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.433 ' CD2' HD11 ' A' ' 35' ' ' LEU . 2.4 tt -41.22 -43.54 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.453 HD21 HD23 ' A' ' 41' ' ' LEU . 69.9 mt -69.29 -58.67 3.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.5 p -42.24 -49.64 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.7 m -62.53 -49.77 74.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.433 HD11 ' CD2' ' A' ' 31' ' ' LEU . 37.7 mt -55.25 171.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.619 HD11 ' HD2' ' A' ' 106' ' ' TYR . 7.9 pt -56.07 179.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -86.33 43.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.64 73.07 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.6 m -145.19 142.14 29.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 107' ' ' PRO . 4.0 p90 -121.76 157.94 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.61 ' CB ' ' HB2' ' A' ' 108' ' ' ALA . 0.7 OUTLIER -152.11 156.17 39.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.544 ' N ' HD12 ' A' ' 41' ' ' LEU . 71.5 t -124.0 122.13 63.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' CZ ' ' O ' ' A' ' 23' ' ' VAL . 6.4 ptm180 -124.34 179.42 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -116.89 152.69 33.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 m -100.96 124.65 46.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -63.72 -46.69 84.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.5 t -34.09 -50.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -122.9 130.06 24.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.703 0.763 . . . . 0.0 110.804 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 8.7 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.729 2.286 . . . . 0.0 112.323 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.0 40.82 0.65 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.435 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -128.45 89.95 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.357 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.774 ' HB3' HD12 ' A' ' 67' ' ' ILE . 4.4 mm? -83.32 170.34 14.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.2 m -163.21 146.21 10.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.917 HD11 HD21 ' A' ' 89' ' ' LEU . 19.3 mt -105.03 101.56 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 m -94.23 96.74 9.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.847 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -110.8 130.66 55.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -79.78 134.84 36.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.787 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.481 ' CE2' ' HG3' ' A' ' 59' ' ' GLU . 74.8 t80 -157.95 123.64 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.481 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 8.1 mt-10 62.9 35.11 13.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.3 39.65 87.72 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.431 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -152.71 147.66 26.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.817 HG21 ' HG2' ' A' ' 29' ' ' GLU . 15.2 t -100.54 114.55 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.826 ' CE2' HG21 ' A' ' 101' ' ' VAL . 55.3 m-85 -101.53 120.86 40.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -102.87 140.68 36.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.805 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.515 ' OH ' HG12 ' A' ' 101' ' ' VAL . 80.4 m-85 -127.77 100.03 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -55.21 114.66 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 52' ' ' LEU . 17.5 mt -69.49 116.36 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -83.8 178.86 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.2 m -152.67 135.23 15.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 p -93.0 -174.9 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -42.99 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -47.91 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.77 30.92 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.56 135.3 35.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.479 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 21.0 m -106.63 134.53 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.529 ' HA ' HD12 ' A' ' 89' ' ' LEU . 11.0 p90 -163.54 125.19 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.925 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.752 ' O ' HG23 ' A' ' 77' ' ' VAL . 29.1 m -105.01 75.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 81' ' ' SER . 1.3 t -175.21 169.32 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -120.06 22.34 11.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -114.78 -33.56 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 78' ' ' THR . 1.6 t -159.34 173.32 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.441 ' HG2' ' CD1' ' A' ' 76' ' ' TYR . 99.2 mtt180 -121.02 175.1 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.438 ' HE2' ' CE1' ' A' ' 93' ' ' HIS . 61.9 m-85 -139.64 130.04 25.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.5 m -53.22 -54.5 35.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.3 p -126.04 171.98 10.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.197 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.9 tp -64.69 -38.84 92.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.55 -37.39 57.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.062 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 33.2 mt-10 -79.82 -21.7 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.917 HD21 HD11 ' A' ' 54' ' ' ILE . 1.2 tt -72.22 -40.81 67.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.597 HG13 HD13 ' A' ' 104' ' ' LEU . 97.9 t -90.36 -35.29 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -70.45 -35.89 73.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 44.4 t-80 -77.97 -40.71 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.438 ' CE1' ' HE2' ' A' ' 83' ' ' PHE . 29.1 m170 -67.93 -26.32 65.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.2 p -59.9 -25.11 64.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 53.0 m -86.02 -50.82 6.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.512 ' C ' HG22 ' A' ' 103' ' ' THR . 11.7 p -134.21 145.13 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.35 -56.22 15.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 t70 60.42 44.05 12.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 109.97 -28.99 9.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.503 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 100' ' ' LEU . 15.6 mt -63.83 158.37 22.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.847 ' CG1' HD21 ' A' ' 56' ' ' LEU . 7.6 p -54.12 -37.28 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.165 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.5 t -173.27 149.57 1.78 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.084 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.512 HG22 ' C ' ' A' ' 96' ' ' VAL . 4.4 p -60.52 153.92 22.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.597 HD13 HG13 ' A' ' 90' ' ' VAL . 6.7 mt -89.66 135.69 33.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.424 ' ND1' ' N ' ' A' ' 105' ' ' HIS . 1.1 p-80 -130.36 -62.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.619 ' HD2' HD11 ' A' ' 36' ' ' ILE . 1.4 m-30 -110.83 99.81 43.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.711 0.767 . . . . 0.0 110.929 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.74 -178.38 2.31 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.61 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 111.108 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.6 mttp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -65.77 160.32 23.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.549 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 36.8 m -89.59 -43.92 10.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.832 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.5 p-90 -61.98 -41.53 98.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -64.91 126.1 26.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -115.7 -41.48 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 22' ' ' PRO . . . 111.9 -127.46 8.12 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.513 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.41 ' HD2' ' HA3' ' A' ' 21' ' ' GLY . 53.6 Cg_endo -69.77 104.51 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.661 2.241 . . . . 0.0 112.299 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.6 t -139.75 137.08 39.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.7 m -73.18 169.38 17.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.783 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.6 ptt-85 -72.06 -40.01 68.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.9 p -76.24 -38.79 55.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.41 -46.51 82.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.613 ' O ' HD12 ' A' ' 32' ' ' LEU . . . -58.19 -22.9 53.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HA ' HG21 ' A' ' 62' ' ' VAL . 58.7 mt-10 -83.38 -43.06 16.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -76.36 -57.45 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.484 HD23 ' HG ' ' A' ' 35' ' ' LEU . 2.3 tt -41.11 -58.73 1.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 28' ' ' ALA . 82.0 mt -45.37 -50.18 12.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 p -66.13 -30.43 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -71.89 -36.18 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.484 ' HG ' HD23 ' A' ' 31' ' ' LEU . 64.8 mt -59.95 -75.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.627 ' CD1' ' CD2' ' A' ' 106' ' ' TYR . 6.6 pt -137.19 -175.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.13 -46.18 61.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.966 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.73 95.89 0.15 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.571 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.37 160.39 17.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.909 0.385 . . . . 0.0 110.779 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.701 ' CG ' HD22 ' A' ' 104' ' ' LEU . 3.1 p90 -121.55 134.25 55.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.648 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -134.46 151.37 51.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.576 ' N ' HD12 ' A' ' 41' ' ' LEU . 88.6 t -111.31 108.37 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -92.84 173.43 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -129.06 113.83 15.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.4 p -48.08 145.41 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.65 -75.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 t -79.3 62.97 3.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -168.45 163.13 8.52 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.658 0.742 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -162.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.688 2.259 . . . . 0.0 112.308 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.64 65.73 0.81 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -107.09 97.53 7.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.775 ' HB3' HD12 ' A' ' 67' ' ' ILE . 16.9 mt -85.04 157.34 20.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -152.78 151.54 30.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.623 HD11 HD21 ' A' ' 89' ' ' LEU . 37.9 mt -111.86 99.42 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.229 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.0 m -90.98 104.06 16.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.075 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -116.01 137.0 52.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.62 115.35 27.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.5 ' CG ' HG21 ' A' ' 102' ' ' THR . 34.7 t80 -147.22 140.8 25.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 59.56 45.35 13.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.73 38.18 71.77 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.0 mtm-85 -155.19 150.95 27.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.457 ' O ' HG12 ' A' ' 62' ' ' VAL . 21.8 t -107.94 96.98 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 1.123 ' CE2' HG21 ' A' ' 101' ' ' VAL . 53.5 m-85 -79.86 162.88 24.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.508 ' O ' ' CG ' ' A' ' 65' ' ' TYR . 1.2 p80 -133.33 170.25 15.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.76 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.619 ' OH ' HG12 ' A' ' 101' ' ' VAL . 70.1 m-85 -160.78 110.16 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -72.96 114.15 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.833 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.775 HD12 ' HB3' ' A' ' 52' ' ' LEU . 58.0 mt -71.71 120.37 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -82.64 172.04 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.9 m -149.9 136.12 18.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.6 p -93.5 176.71 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.186 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.13 -55.16 8.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -63.95 -60.06 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 146.72 43.75 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.456 ' CD ' ' HA ' ' A' ' 84' ' ' SER . 34.0 mmtm -97.04 122.58 40.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.7 133.79 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 13.1 p90 -168.68 119.81 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 77' ' ' VAL . 35.3 m -98.88 76.5 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -174.99 171.89 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.45 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -125.45 28.37 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -131.12 -34.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.973 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.5 m -141.11 176.71 8.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.567 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 40.2 mtm-85 -138.94 175.0 9.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -141.17 160.03 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.456 ' HA ' ' CD ' ' A' ' 74' ' ' LYS . 29.6 m -80.33 -63.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.4 p -120.62 178.85 4.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.137 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.409 ' CD1' HD13 ' A' ' 67' ' ' ILE . 13.5 tp -71.93 -43.22 65.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.79 -24.43 2.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -92.24 -33.52 14.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.623 HD21 HD11 ' A' ' 54' ' ' ILE . 4.2 tt -62.27 -40.02 94.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.734 HG13 ' CD1' ' A' ' 104' ' ' LEU . 72.9 t -86.96 -37.24 11.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -66.94 -33.12 74.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -79.47 -57.75 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.514 ' CG ' ' CD1' ' A' ' 100' ' ' LEU . 22.5 m-70 -48.96 -31.15 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.3 p -54.28 -35.83 62.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.6 m -76.05 -54.03 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.531 ' C ' HG22 ' A' ' 103' ' ' THR . 7.7 p -131.77 140.78 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.532 ' N ' HG22 ' A' ' 103' ' ' THR . . . -48.28 -54.05 15.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.4 t0 56.31 32.49 20.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 105.25 31.99 4.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.514 ' CD1' ' CG ' ' A' ' 93' ' ' HIS . 41.6 mt -129.45 142.72 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 1.123 HG21 ' CE2' ' A' ' 63' ' ' TYR . 4.9 p -35.15 -41.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.5 HG21 ' CG ' ' A' ' 58' ' ' TYR . 14.7 t -173.99 142.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.532 HG22 ' N ' ' A' ' 97' ' ' ALA . 41.0 p -49.79 121.89 5.83 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.216 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.734 ' CD1' HG13 ' A' ' 90' ' ' VAL . 56.7 mt -42.57 111.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -75.25 -73.73 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.627 ' CD2' ' CD1' ' A' ' 36' ' ' ILE . 54.9 m-85 -123.77 120.98 26.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.642 0.734 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.527 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.78 -50.36 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 121.635 0.731 . . . . 0.0 111.051 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 69.1 m-70 -47.92 159.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.1 m -85.4 -41.88 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.8 p-90 -63.11 -46.26 88.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -49.3 119.41 3.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.969 0.414 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -101.29 -43.12 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.831 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.75 -148.67 18.64 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.433 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 100.7 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.395 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -132.41 135.61 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.8 p -86.6 162.01 18.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.6 mtm180 -48.18 -62.04 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.6 m -51.06 -64.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.3 -56.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.96 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.61 -59.31 3.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.061 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -45.5 -47.7 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 31' ' ' LEU . 8.0 t80 -63.55 -64.29 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.457 ' N ' ' CD1' ' A' ' 30' ' ' TYR . 12.4 mt -41.71 -53.54 3.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.896 HD21 HD23 ' A' ' 41' ' ' LEU . 15.2 mt -60.73 -36.7 79.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.8 t -52.73 -50.5 63.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.8 m -68.4 -45.29 73.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.6 mt -52.81 170.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.454 HD11 ' HD2' ' A' ' 106' ' ' TYR . 19.3 pt -64.44 176.96 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' CG ' ' N ' ' A' ' 38' ' ' GLY . 0.9 OUTLIER -75.31 -48.61 22.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.445 ' N ' ' CG ' ' A' ' 37' ' ' ASN . . . -83.03 58.13 5.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.6 p -126.47 134.14 51.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.756 ' CG ' HD22 ' A' ' 104' ' ' LEU . 3.1 p90 -130.88 134.16 46.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.896 HD23 HD21 ' A' ' 32' ' ' LEU . 2.3 pp -131.02 155.84 46.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.423 HG22 HG12 ' A' ' 54' ' ' ILE . 59.4 t -115.19 102.62 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.7 ptt85 -97.69 176.9 5.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -115.46 143.5 45.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 m -74.11 151.69 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.9 -32.67 13.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.1 t -44.31 -57.67 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.794 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.0 m -138.63 143.98 40.25 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.7 0.762 . . . . 0.0 110.781 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 150.13 67.64 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.3 -46.61 2.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -57.7 145.34 34.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.984 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' C ' HD13 ' A' ' 67' ' ' ILE . 9.6 mt -135.25 165.73 24.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m -151.65 160.15 43.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.423 HG12 HG22 ' A' ' 42' ' ' VAL . 87.9 mt -119.09 106.88 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.6 m -108.31 119.52 39.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.8 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.048 HD21 HG12 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -131.3 138.79 49.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.456 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.8 mmt180 -89.29 141.35 28.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -170.19 119.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.98 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 74.92 27.12 1.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.93 38.41 64.72 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.401 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -146.79 152.55 38.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.82 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.94 108.44 24.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.714 ' CE2' HG21 ' A' ' 101' ' ' VAL . 32.1 m-85 -102.79 117.6 34.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -107.14 141.3 38.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.413 ' CE1' ' HB3' ' A' ' 63' ' ' TYR . 2.3 m-85 -135.48 106.16 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.584 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -65.45 169.78 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.807 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.456 HD13 ' C ' ' A' ' 52' ' ' LEU . 4.5 mp -108.24 125.03 64.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.462 ' OD1' ' NE ' ' A' ' 66' ' ' ARG . 81.4 m-20 -90.67 132.42 35.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.6 m -108.67 140.52 41.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' ALA . 62.2 p -98.65 165.37 11.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' THR . . . -34.12 -66.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.138 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.07 -60.61 3.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.38 70.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' CD ' ' HA ' ' A' ' 84' ' ' SER . 30.2 mmtm -122.39 122.47 39.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.315 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.0 m -91.11 133.75 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.64 ' HA ' HD12 ' A' ' 89' ' ' LEU . 30.5 p90 -168.69 131.11 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.941 HG13 HD11 ' A' ' 89' ' ' LEU . 28.5 m -107.17 74.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 81' ' ' SER . 1.4 t -177.53 133.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.78 4.0 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -92.06 -47.89 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.446 ' O ' HG23 ' A' ' 78' ' ' THR . 9.8 m -140.33 -175.02 4.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.532 ' HG2' ' CZ ' ' A' ' 76' ' ' TYR . 77.6 mtm180 -132.72 173.39 11.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.832 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 89' ' ' LEU . 56.3 m-85 -137.07 -178.16 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.423 ' HA ' ' CD ' ' A' ' 74' ' ' LYS . 19.4 m -104.19 -52.43 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.2 p -123.65 179.94 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.1 tp -74.25 -34.44 63.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.92 79.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -75.11 -42.14 57.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.941 HD11 HG13 ' A' ' 77' ' ' VAL . 1.3 tt -53.22 -51.21 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.596 ' N ' HD23 ' A' ' 89' ' ' LEU . 57.7 t -74.42 -50.94 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.172 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' A' ' 94' ' ' SER . 79.0 t60 -53.06 -63.09 1.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -38.46 -67.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.557 ' CG ' HD22 ' A' ' 100' ' ' LEU . 22.4 m-70 -41.55 -42.8 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 8.2 t -34.8 -41.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 73.8 m -73.3 -63.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.442 ' C ' HG22 ' A' ' 103' ' ' THR . 11.6 p -118.89 141.37 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.158 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.452 ' N ' HG22 ' A' ' 103' ' ' THR . . . -60.56 -48.89 79.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.3 t70 46.25 29.42 0.83 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.22 -56.57 0.68 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.546 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.557 HD22 ' CG ' ' A' ' 93' ' ' HIS . 4.4 mp -41.63 151.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 1.048 HG12 HD21 ' A' ' 56' ' ' LEU . 12.5 p -50.9 -31.6 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.6 t -174.48 135.61 0.43 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 97' ' ' ALA . 16.0 p -38.85 110.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.204 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.756 HD22 ' CG ' ' A' ' 40' ' ' PHE . 84.1 mt -41.0 106.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -79.42 -73.31 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.454 ' HD2' HD11 ' A' ' 36' ' ' ILE . 30.1 m-85 -118.05 124.35 28.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.701 0.762 . . . . 0.0 110.975 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.486 ' HB2' ' N ' ' A' ' 18' ' ' TRP . 52.5 Cg_endo -69.83 -49.06 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 111.105 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 16' ' ' HIS . 54.4 mttt . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.809 0.337 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 5.2 m-70 -34.6 123.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.6 m -66.95 -40.31 87.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 4.6 p-90 -66.55 -34.26 77.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.414 ' CB ' ' HB2' ' A' ' 16' ' ' HIS . 69.2 t80 -67.62 74.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -82.07 41.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 38.4 -153.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.51 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 136.01 32.02 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.724 2.283 . . . . 0.0 112.386 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.481 HG12 ' HB3' ' A' ' 27' ' ' ALA . 52.5 t -142.43 146.42 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.1 m -75.15 154.51 37.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -48.84 -67.57 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -52.58 -39.54 61.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.481 ' HB3' HG12 ' A' ' 23' ' ' VAL . . . -54.2 -64.93 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.626 ' HB2' ' HD2' ' A' ' 43' ' ' ARG . . . -37.24 -59.07 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -47.99 -44.02 30.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -66.52 -56.54 10.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mp -39.81 -29.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' A' ' 57' ' ' ARG . 11.8 mt -89.03 -54.45 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.974 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m 38.05 37.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 77.2 p 52.7 51.69 15.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.3 mt -42.59 -68.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 106' ' ' TYR . 6.6 pt -127.58 -177.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' ILE . 4.6 p-10 -34.28 -35.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ILE . . . -171.82 107.46 0.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.498 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.3 m -116.18 155.31 28.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -132.95 164.44 26.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -154.4 155.48 35.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.57 ' N ' HD12 ' A' ' 41' ' ' LEU . 43.4 t -122.63 114.53 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.626 ' HD2' ' HB2' ' A' ' 28' ' ' ALA . 5.3 ptm180 -118.95 173.65 6.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -116.4 167.08 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.7 t -106.7 137.58 44.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.2 mt-10 -79.12 174.4 11.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.7 t 34.13 37.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.6 m -141.06 161.94 50.83 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.833 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HG2' ' CG ' ' A' ' 51' ' ' GLN . 52.9 Cg_endo -69.83 -162.98 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.07 64.63 1.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.543 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.416 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 8.2 mt-30 -103.43 170.15 8.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.957 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.675 ' CB ' HD12 ' A' ' 67' ' ' ILE . 95.6 mt -147.39 164.48 33.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.2 t -154.15 140.05 18.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.663 HD11 HD21 ' A' ' 89' ' ' LEU . 32.4 mt -109.17 104.22 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.6 m -100.43 97.91 8.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.121 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -110.69 122.7 48.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.575 ' HB2' HD13 ' A' ' 32' ' ' LEU . 4.2 tmt_? -93.02 98.59 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.606 ' CE1' ' HG2' ' A' ' 59' ' ' GLU . 8.5 t80 -97.41 155.28 16.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.606 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 2.1 pt-20 -31.77 93.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 146.63 -85.3 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -141.29 176.09 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.6 t -84.81 114.27 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.84 ' CE2' HG21 ' A' ' 101' ' ' VAL . 16.4 m-85 -97.07 160.7 14.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 65' ' ' TYR . 2.6 p80 -138.87 174.15 10.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.545 ' OH ' HG12 ' A' ' 101' ' ' VAL . 82.9 m-85 -158.29 123.84 4.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -84.22 101.82 12.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.675 HD12 ' CB ' ' A' ' 52' ' ' LEU . 71.3 mt -61.59 106.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -60.86 -178.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -151.97 137.17 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.0 p -107.38 176.63 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.18 92.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 73' ' ' GLY . 4.6 t70 -80.8 43.34 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 72' ' ' ASP . . . 34.6 65.46 0.37 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -118.46 152.78 35.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.828 0.346 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.19 135.38 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.656 ' HA ' HD12 ' A' ' 89' ' ' LEU . 9.0 p90 -173.99 124.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.704 ' O ' HG23 ' A' ' 77' ' ' VAL . 33.5 m -104.27 76.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.045 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 1.7 t -175.27 176.66 2.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -128.32 3.91 5.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -94.26 -32.29 13.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -154.54 179.88 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 78.3 mtm-85 -132.55 165.65 23.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -129.98 158.47 39.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.6 m -85.8 -58.39 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.9 p -120.33 171.27 8.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 89' ' ' LEU . 29.4 tp -61.62 -53.88 50.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 91' ' ' HIS . . . -40.41 -37.4 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -76.32 -33.74 59.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.41 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.663 HD21 HD11 ' A' ' 54' ' ' ILE . 1.1 tt -69.56 -47.26 64.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.616 ' N ' HD23 ' A' ' 89' ' ' LEU . 61.3 t -75.63 -27.52 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 81.7 t60 -78.51 -60.8 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -51.26 -51.13 56.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -51.95 -35.27 45.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -52.7 -27.14 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.807 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.4 m -83.3 -62.27 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.557 HG22 ' H ' ' A' ' 98' ' ' ASP . 7.1 p -121.94 136.92 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.678 ' N ' HG22 ' A' ' 103' ' ' THR . . . -50.62 -40.98 54.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.557 ' H ' HG22 ' A' ' 96' ' ' VAL . 4.5 t70 46.84 50.04 13.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.83 33.7 9.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.463 HD23 ' CE2' ' A' ' 65' ' ' TYR . 33.6 mt -127.28 154.35 45.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 1.121 ' CG1' HD21 ' A' ' 56' ' ' LEU . 6.0 p -49.7 -38.01 12.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.8 t -174.17 140.72 0.7 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.101 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.678 HG22 ' N ' ' A' ' 97' ' ' ALA . 57.0 p -53.56 120.43 6.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 mt -40.37 109.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -79.11 -72.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.544 ' CD1' HD11 ' A' ' 36' ' ' ILE . 40.8 m-85 -130.54 132.72 24.16 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 121.706 0.765 . . . . 0.0 110.88 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -178.21 2.24 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 121.562 0.696 . . . . 0.0 111.115 179.803 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.852 0.358 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.541 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 21.8 m80 -76.66 157.15 32.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.7 m -73.65 -40.79 63.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.546 ' HA ' ' HB3' ' A' ' 108' ' ' ALA . 2.9 p-90 -68.32 -38.17 81.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -59.72 104.95 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.976 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.558 ' CD2' ' CB ' ' A' ' 108' ' ' ALA . 4.9 m-70 -116.08 46.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . 35.65 -151.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 125.31 11.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.579 2.186 . . . . 0.0 112.378 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t -135.25 132.42 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.3 t -79.51 152.29 30.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -47.25 -50.82 20.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.2 t -54.67 -49.04 71.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.02 92.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -54.36 47.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.731 ' HG2' HG21 ' A' ' 62' ' ' VAL . 57.1 mt-10 -61.69 -51.5 68.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -54.06 -67.53 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 mt -38.89 -52.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 35' ' ' LEU . 61.8 mt -59.09 -44.31 91.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' LEU . 3.5 t -36.11 -53.24 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 t -68.39 -48.14 65.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 32' ' ' LEU . 51.5 mt -52.23 161.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.676 HD11 ' HD2' ' A' ' 106' ' ' TYR . 25.5 pt -66.9 157.83 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -76.66 50.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.23 -35.47 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -63.65 156.32 27.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.438 . . . . 0.0 110.791 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 104' ' ' LEU . 5.6 p90 -130.62 174.85 9.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.2 pp -158.72 152.3 23.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG22 HG12 ' A' ' 54' ' ' ILE . 95.0 t -112.05 109.75 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.4 ptt85 -102.71 -179.28 3.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -121.0 151.75 39.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.418 ' CB ' ' HB2' ' A' ' 51' ' ' GLN . 1.3 t -67.33 139.26 57.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -94.15 -48.4 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.7 m -47.46 -59.14 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.772 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.0 m -117.01 129.73 25.11 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.634 0.73 . . . . 0.0 110.898 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 130.67 19.75 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.707 2.271 . . . . 0.0 112.327 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.54 -42.11 2.01 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.39 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.418 ' HB2' ' CB ' ' A' ' 45' ' ' SER . 12.2 mm100 -61.26 141.15 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 110.841 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.517 ' C ' HD13 ' A' ' 67' ' ' ILE . 11.2 mt -126.59 159.4 33.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 p -154.81 149.54 26.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.413 HG12 HG22 ' A' ' 42' ' ' VAL . 18.5 mt -104.88 103.38 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -92.59 106.23 18.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.748 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -113.43 129.36 56.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' HB2' HD22 ' A' ' 32' ' ' LEU . 12.0 tpt180 -80.28 138.52 36.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.536 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 41.6 t80 -169.25 148.46 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.024 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 43.5 43.38 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.11 38.61 77.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.562 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -142.31 168.36 19.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.731 HG21 ' HG2' ' A' ' 29' ' ' GLU . 96.6 t -123.14 91.86 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.697 ' CD2' HG21 ' A' ' 101' ' ' VAL . 84.9 m-85 -81.46 149.8 28.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -125.42 135.54 52.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.885 ' OH ' HG23 ' A' ' 101' ' ' VAL . 97.2 m-85 -122.93 85.02 2.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.803 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -53.8 156.87 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.517 HD13 ' C ' ' A' ' 52' ' ' LEU . 3.1 mp -96.86 133.31 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -105.52 136.79 44.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.8 m -114.6 142.75 46.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 p -100.11 171.86 7.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -38.68 -62.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.71 -61.29 2.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 142.8 65.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -122.0 130.26 53.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.4 m -92.97 140.63 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.524 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 3.3 p90 -173.29 123.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.803 HG12 ' O ' ' A' ' 66' ' ' ARG . 27.6 m -100.13 75.93 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -175.46 174.25 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -126.31 -2.39 6.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -91.76 -44.56 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -135.57 -175.02 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.524 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 69.2 mtm-85 -136.01 171.49 14.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -137.68 171.63 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -100.76 -48.01 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.4 p -129.51 164.58 23.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.65 -52.13 64.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.96 -46.71 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -68.76 -34.52 75.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.82 HD23 ' C ' ' A' ' 89' ' ' LEU . 2.4 tt -61.96 -47.3 85.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.811 HG13 HD13 ' A' ' 104' ' ' LEU . 99.3 t -79.73 -50.62 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 94' ' ' SER . 5.0 t60 -52.13 -60.49 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.821 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -43.88 -47.15 8.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -85.2 31.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 54.1 p -97.94 -14.21 20.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.406 ' O ' HG21 ' A' ' 103' ' ' THR . 53.9 m -108.07 -41.73 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.107 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.609 HG22 ' H ' ' A' ' 98' ' ' ASP . 14.3 p -118.97 145.39 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -84.21 13.18 5.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.609 ' H ' HG22 ' A' ' 96' ' ' VAL . 19.8 m-20 -55.62 82.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 131.11 -39.16 1.82 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.49 HD13 HD21 ' A' ' 104' ' ' LEU . 24.7 mt -102.17 172.23 7.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.343 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.885 HG23 ' OH ' ' A' ' 65' ' ' TYR . 55.8 t -63.55 -49.35 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.0 t -144.1 149.31 36.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.042 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.533 HG22 ' C ' ' A' ' 96' ' ' VAL . 21.9 p -52.82 125.82 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.811 HD13 HG13 ' A' ' 90' ' ' VAL . 25.2 mt -64.74 85.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.492 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 1.7 p-80 -88.94 -54.4 4.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.798 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.676 ' HD2' HD11 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -119.37 99.25 50.3 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.636 0.732 . . . . 0.0 110.908 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 53.4 Cg_endo -69.8 -172.27 0.56 Allowed 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.709 2.273 . . . . 0.0 112.337 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.558 ' CB ' ' CD2' ' A' ' 20' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.745 0.307 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 18.5 m-70 -69.23 125.77 27.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.766 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 m -55.84 -48.15 75.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 2.7 p-90 -63.5 -43.93 95.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CB ' ' HB2' ' A' ' 16' ' ' HIS . 32.4 t80 -61.32 118.5 6.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -105.96 -58.84 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.56 -116.81 3.69 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 91.2 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.638 2.225 . . . . 0.0 112.35 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.6 t -123.24 120.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.9 t -65.97 144.96 56.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 -44.51 -45.61 9.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -66.43 -55.07 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.56 -42.09 55.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.13 -54.48 30.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.752 ' HG2' HG21 ' A' ' 62' ' ' VAL . 68.1 mt-10 -70.13 -53.02 19.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -48.52 -59.1 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.948 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tt -43.6 -49.16 7.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.417 HD22 ' H ' ' A' ' 57' ' ' ARG . 38.1 mt -53.95 -45.95 71.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 t -41.17 -55.85 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -54.67 -47.39 73.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.9 mt -63.78 156.4 27.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.8 pt -51.56 168.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -80.46 44.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.3 51.43 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.8 m -129.41 149.77 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.935 0.398 . . . . 0.0 110.813 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CG ' HD22 ' A' ' 104' ' ' LEU . 2.7 p90 -122.49 155.6 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 108' ' ' ALA . 1.3 pp -144.8 152.74 40.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.6 t -115.87 113.68 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.54 ' O ' HD23 ' A' ' 52' ' ' LEU . 27.8 ptt85 -112.42 172.72 6.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -122.0 158.83 28.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -86.81 132.32 33.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.801 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' SER . 9.9 tm-20 -73.17 -58.65 3.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' GLU . 26.6 t -36.49 -62.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 t -126.52 135.21 26.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.651 0.739 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 172.98 11.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.632 2.221 . . . . 0.0 112.312 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.24 -43.92 2.57 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.74 122.46 15.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 43' ' ' ARG . 15.7 mt -122.03 170.4 9.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.445 ' HA ' HD12 ' A' ' 67' ' ' ILE . 49.0 m -160.33 141.61 12.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.1 mt -100.42 99.54 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.5 m -96.97 105.28 17.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.047 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -119.8 134.56 55.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.417 ' H ' HD22 ' A' ' 32' ' ' LEU . 5.8 tpp180 -93.03 129.93 38.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 5.8 t80 -152.43 117.41 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.412 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 9.1 tt0 68.63 41.09 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.59 36.2 92.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -144.2 141.39 29.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.752 HG21 ' HG2' ' A' ' 29' ' ' GLU . 54.4 t -104.44 111.31 33.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.547 ' CE2' HG21 ' A' ' 101' ' ' VAL . 46.4 m-85 -98.01 127.53 44.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -106.54 127.72 53.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -115.86 87.17 2.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -60.7 103.03 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.586 ' HA ' HG12 ' A' ' 77' ' ' VAL . 4.8 mp -54.14 133.16 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -90.95 156.24 18.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.1 m -136.3 138.35 41.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.3 p -103.54 173.37 6.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.102 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -37.57 -61.09 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.47 -54.85 40.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 135.15 38.49 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -89.31 121.82 31.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.6 m -87.92 132.63 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.519 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 19.5 p90 -169.71 114.27 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.707 ' O ' HG23 ' A' ' 77' ' ' VAL . 33.5 m -94.39 75.25 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -176.79 157.1 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.56 34.49 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -130.3 -43.98 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -140.32 175.24 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.519 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 75.6 mtm-85 -132.16 168.29 18.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -127.61 161.5 28.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.9 p -85.21 -54.34 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.856 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.7 p -127.34 164.68 21.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.105 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 89' ' ' LEU . 21.5 tp -56.84 -54.2 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -37.34 -48.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -69.06 -35.38 76.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.492 HD23 ' C ' ' A' ' 89' ' ' LEU . 8.9 tt -57.64 -50.4 73.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 104' ' ' LEU . 95.0 t -77.39 -45.47 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -56.13 -55.53 31.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.792 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -51.05 -49.07 61.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 95' ' ' THR . 32.1 m170 -59.25 -54.53 45.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.756 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 93' ' ' HIS . 25.2 p -35.21 -34.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.815 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' HIS . 41.6 m -81.27 -53.6 6.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.471 ' C ' HG22 ' A' ' 103' ' ' THR . 11.8 p -130.47 132.37 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.66 ' N ' HG22 ' A' ' 103' ' ' THR . . . -44.48 -47.76 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.8 t70 52.78 39.12 28.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.65 40.09 4.8 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.398 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.9 mt -134.26 153.13 52.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.365 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 1.047 ' CG1' HD21 ' A' ' 56' ' ' LEU . 8.6 p -40.74 -41.93 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.575 HG22 HG13 ' A' ' 101' ' ' VAL . 7.4 t -173.59 148.69 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.231 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.66 HG22 ' N ' ' A' ' 97' ' ' ALA . 36.4 p -55.0 125.95 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.596 HD22 ' CG ' ' A' ' 40' ' ' PHE . 29.5 mt -62.12 98.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -98.48 -51.42 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -111.18 98.99 41.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.539 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 53.3 Cg_endo -69.78 -170.74 0.41 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.713 2.275 . . . . 0.0 112.272 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 111.024 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.6 mptt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.81 0.338 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.479 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 51.5 m-70 -87.94 151.02 23.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.9 m -69.27 -36.89 77.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.479 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 4.9 p-90 -75.49 -37.63 60.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -62.32 97.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' GLY . 13.2 m80 -109.6 45.53 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . 36.73 -156.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 118.42 5.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.299 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.3 t -128.0 124.42 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m -51.11 138.42 20.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -47.25 -41.7 19.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.801 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -66.42 -53.28 37.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.09 -53.93 36.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.478 ' HB1' HD21 ' A' ' 41' ' ' LEU . . . -42.23 -52.31 4.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.583 ' HG2' HG21 ' A' ' 62' ' ' VAL . 8.0 mt-10 -62.94 -54.13 43.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -44.05 -48.71 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 tp -60.15 -50.06 75.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.482 ' HG ' HD23 ' A' ' 41' ' ' LEU . 90.8 mt -60.75 -29.17 69.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.5 t -80.15 -1.48 40.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.1 p -120.82 20.39 11.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.4 mt -132.45 -177.32 4.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 pt -51.81 172.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -93.71 34.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.77 37.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -110.21 157.45 19.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 17.8 p90 -134.87 164.76 26.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.482 HD23 ' HG ' ' A' ' 32' ' ' LEU . 1.3 pp -147.63 157.73 43.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.438 ' N ' HD12 ' A' ' 41' ' ' LEU . 63.4 t -124.91 101.93 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -91.57 179.52 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -139.21 147.88 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.9 t -90.82 149.93 21.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 47' ' ' SER . 23.3 tt0 -102.25 -29.67 11.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' GLU . 11.2 m -36.75 -57.22 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.7 m -131.93 139.19 34.31 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.579 0.705 . . . . 0.0 110.941 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 84.49 0.65 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.799 2.333 . . . . 0.0 112.315 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.63 40.71 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -132.16 144.2 50.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.613 ' C ' HD13 ' A' ' 67' ' ' ILE . 15.3 mt -141.88 164.06 31.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.8 m -158.28 137.75 11.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.82 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.771 HD11 HD21 ' A' ' 89' ' ' LEU . 27.1 mt -100.62 127.59 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -125.24 109.29 12.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.818 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -119.64 137.64 53.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.495 ' N ' HD12 ' A' ' 56' ' ' LEU . 1.9 tmm_? -83.33 139.16 33.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -150.35 123.79 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 53.9 30.91 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.441 ' CA ' ' HD3' ' A' ' 57' ' ' ARG . . . 91.7 -36.17 3.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.449 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -80.11 144.9 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.583 HG21 ' HG2' ' A' ' 29' ' ' GLU . 84.7 t -98.95 134.19 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.916 ' CG ' HG21 ' A' ' 101' ' ' VAL . 51.9 m-85 -111.32 139.25 46.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.446 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 20.4 p80 -115.68 145.32 42.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.476 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 4.3 m-85 -139.13 110.1 6.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -73.62 135.17 43.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.613 HD13 ' C ' ' A' ' 52' ' ' LEU . 2.7 mp -82.88 138.89 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -109.97 128.95 55.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.2 m -112.68 134.29 54.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.7 p -91.18 172.03 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -39.22 -68.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -52.97 -70.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.06 77.3 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -132.58 112.94 12.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.0 m -83.54 138.39 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 17.8 p90 -173.56 116.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.62 ' O ' HG23 ' A' ' 77' ' ' VAL . 27.8 m -92.93 76.47 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -175.06 173.51 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.439 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -127.41 29.92 5.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -134.71 -39.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -131.68 177.12 7.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.807 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 33.1 mtm-85 -140.56 176.73 8.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.95 156.5 45.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.1 m -72.29 -63.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.7 p -124.55 -175.64 3.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.44 ' CD2' HD13 ' A' ' 52' ' ' LEU . 12.2 tp -68.66 -48.41 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 91' ' ' HIS . . . -46.0 -44.53 15.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.006 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -71.93 -26.2 62.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.771 HD21 HD11 ' A' ' 54' ' ' ILE . 10.2 tt -68.3 -50.67 51.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.533 HG13 HD13 ' A' ' 104' ' ' LEU . 39.8 t -81.33 -31.99 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 68.1 t60 -70.73 -43.94 67.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -70.25 -53.82 15.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -50.13 -37.71 35.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.6 p -48.04 -19.96 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.574 ' O ' HG21 ' A' ' 103' ' ' THR . 89.2 m -88.33 -73.49 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.555 ' C ' HG22 ' A' ' 103' ' ' THR . 8.2 p -112.26 138.86 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.667 ' N ' HG22 ' A' ' 103' ' ' THR . . . -47.76 -54.56 11.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.8 t0 51.7 29.03 5.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 134.85 -61.75 0.63 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.566 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.476 ' HG ' ' CE2' ' A' ' 65' ' ' TYR . 7.8 mp -46.28 140.25 4.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.916 HG21 ' CG ' ' A' ' 63' ' ' TYR . 3.4 t -33.6 -39.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.4 t -169.93 145.14 2.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.667 HG22 ' N ' ' A' ' 97' ' ' ALA . 65.5 p -43.32 151.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.564 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 4.0 mt -79.67 95.45 5.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -64.02 -68.88 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -129.74 133.4 25.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.573 0.702 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.517 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.69 -169.19 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.695 2.264 . . . . 0.0 112.323 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.494 0.664 . . . . 0.0 111.16 179.829 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 mttm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.801 0.334 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.47 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 15.0 m80 -69.83 157.85 36.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.6 p -75.05 -43.02 55.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.484 ' CE3' HG21 ' A' ' 42' ' ' VAL . 13.5 p-90 -66.66 -25.21 66.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -77.82 98.93 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -86.93 -54.56 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.6 -116.83 5.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 90.52 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.42 143.62 40.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ARG . 39.0 m -93.98 137.77 32.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . 21.5 ttm180 -34.62 -55.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -53.37 -54.43 36.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.64 -43.43 62.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.14 -64.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.58 ' HG2' HG21 ' A' ' 62' ' ' VAL . 56.5 mt-10 -44.95 -51.66 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' LEU . 4.2 t80 -54.74 -63.65 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -36.1 -68.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.015 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.717 HD13 ' HG2' ' A' ' 57' ' ' ARG . 17.2 mt -38.9 -41.51 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.976 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 30' ' ' TYR . 4.3 t -49.21 -59.93 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.4 m -44.18 -45.82 8.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.782 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.1 mt -79.21 178.19 8.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.489 HD11 ' CD2' ' A' ' 106' ' ' TYR . 33.0 pt -73.34 166.93 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -55.85 -39.79 71.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.0 64.97 4.14 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -137.41 142.26 41.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.994 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CG ' HD22 ' A' ' 104' ' ' LEU . 28.5 p90 -128.79 167.7 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.435 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.6 pp -153.89 155.63 36.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.484 HG21 ' CE3' ' A' ' 18' ' ' TRP . 95.3 t -119.89 105.33 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 44' ' ' GLU . 46.9 ptt85 -117.62 178.09 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 5.4 tm-20 -100.97 142.5 32.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -53.38 136.2 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -75.16 -44.37 47.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.3 t -70.25 -70.53 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.807 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.6 m -75.76 119.15 75.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.87 132.1 22.45 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.05 -41.38 3.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -53.84 120.77 6.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.402 ' C ' HD13 ' A' ' 67' ' ' ILE . 73.8 mt -76.32 167.17 22.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.0 t -165.38 135.44 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.7 mt -101.15 141.22 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.3 m -139.35 119.1 13.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.813 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.722 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -131.0 148.32 52.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.717 ' HG2' HD13 ' A' ' 32' ' ' LEU . 4.0 mmt85 -88.24 127.68 35.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.595 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 14.7 t80 -132.15 119.93 21.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.989 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 63.18 25.22 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.448 ' O ' ' CD ' ' A' ' 57' ' ' ARG . . . 99.33 -44.34 1.7 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 -73.33 155.55 39.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.58 HG21 ' HG2' ' A' ' 29' ' ' GLU . 92.4 t -92.83 142.42 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 1.095 ' CD2' HG11 ' A' ' 101' ' ' VAL . 5.1 m-85 -124.67 164.48 19.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.996 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.428 ' C ' ' CG ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -140.13 167.1 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.575 ' OH ' HG22 ' A' ' 101' ' ' VAL . 5.7 m-85 -157.45 112.4 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.943 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -74.68 133.92 42.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.424 ' CG2' HG12 ' A' ' 75' ' ' VAL . 3.6 mp -82.71 135.29 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -111.78 148.53 33.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.2 146.6 44.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -130.23 -59.28 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -151.88 150.8 30.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 47.86 38.51 9.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.4 28.58 64.92 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HB2' HG23 ' A' ' 70' ' ' THR . 45.9 mttt -67.76 121.49 16.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.424 HG12 ' CG2' ' A' ' 67' ' ' ILE . 10.8 m -107.86 140.49 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.455 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 19.9 p90 -168.25 118.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 77' ' ' VAL . 34.5 m -97.27 75.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.177 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 t -176.4 165.81 2.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.099 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -119.53 32.39 6.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -135.03 -38.63 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 p -134.15 177.39 7.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.405 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 67.7 mtt180 -140.98 177.88 7.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -146.59 176.88 9.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.3 p -94.39 -60.8 1.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.3 p -129.6 177.03 7.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' ALA . 13.4 tp -61.48 -57.23 13.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -36.25 -38.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.049 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.74 -44.18 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.667 HD23 ' C ' ' A' ' 89' ' ' LEU . 3.4 tt -50.54 -42.5 55.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.743 HG13 ' CD1' ' A' ' 104' ' ' LEU . 74.2 t -81.76 -62.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.431 ' O ' ' CB ' ' A' ' 94' ' ' SER . 3.7 t-80 -47.22 -61.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -47.61 -57.93 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.792 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 95' ' ' THR . 9.3 m170 -44.11 -36.12 2.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 7.8 t -37.8 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' HIS . 77.8 m -86.15 -58.65 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.105 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.578 HG22 ' H ' ' A' ' 98' ' ' ASP . 12.4 p -109.08 146.53 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -88.26 15.02 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.578 ' H ' HG22 ' A' ' 96' ' ' VAL . 15.6 t0 -47.06 88.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 124.2 -49.79 0.89 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.422 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.563 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . 7.5 mp -90.71 147.61 23.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 1.095 HG11 ' CD2' ' A' ' 63' ' ' TYR . 20.6 m -45.6 -40.18 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.511 HG22 HG23 ' A' ' 101' ' ' VAL . 13.8 t -150.51 147.99 28.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.573 HG22 ' C ' ' A' ' 96' ' ' VAL . 66.7 p -53.17 134.3 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.743 ' CD1' HG13 ' A' ' 90' ' ' VAL . 78.4 mt -52.44 114.18 1.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -80.2 -67.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.489 ' CD2' HD11 ' A' ' 36' ' ' ILE . 37.0 m-85 -138.19 135.15 18.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.663 0.744 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.499 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.82 -177.95 2.14 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.388 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.54 0.686 . . . . 0.0 111.063 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.539 ' ND1' ' CZ2' ' A' ' 18' ' ' TRP . 31.5 m170 -47.22 168.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -100.19 -11.56 20.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.813 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.539 ' CZ2' ' ND1' ' A' ' 16' ' ' HIS . 3.7 p-90 -103.84 -27.1 12.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -81.23 111.81 17.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.975 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -116.18 36.79 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 52.94 -157.12 4.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 102.79 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.637 2.225 . . . . 0.0 112.384 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.2 t -112.98 130.85 66.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.164 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ARG . 17.2 m -60.73 124.6 20.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' SER . 2.9 ptp85 -34.58 -38.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 8.7 t -69.78 -55.03 10.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.8 -47.88 64.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.56 -69.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.103 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.78 ' HG2' HG11 ' A' ' 62' ' ' VAL . 46.1 mt-10 -46.55 -21.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.3 -67.96 0.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.1 tp -46.77 -50.14 18.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.568 ' CD2' HD23 ' A' ' 41' ' ' LEU . 94.0 mt -39.84 -66.76 0.27 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' SER . 10.7 t -59.7 -57.57 12.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' SER . 24.2 p -35.74 -47.75 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.72 -75.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 pt -143.55 -176.19 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.9 30.86 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.57 100.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -153.22 155.3 36.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.879 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.53 ' CE1' HD13 ' A' ' 104' ' ' LEU . 2.9 p90 -131.78 146.82 52.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 41' ' ' LEU . 2.4 pp -144.83 160.84 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.445 ' N ' HD12 ' A' ' 41' ' ' LEU . 75.8 t -115.6 106.85 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.7 ptt85 -97.67 156.28 16.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -118.1 156.04 29.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.5 m -83.27 138.51 33.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -88.47 -59.33 2.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 61.7 p -45.19 -49.28 12.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.42 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 29.0 m -126.16 102.57 27.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 48' ' ' SER . 54.2 Cg_endo -69.81 119.11 6.11 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.656 2.237 . . . . 0.0 112.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 136.78 -16.62 3.74 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -95.44 87.93 4.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.876 0.37 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.536 ' C ' HD13 ' A' ' 67' ' ' ILE . 4.2 mm? -73.31 162.77 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.3 t -154.84 138.93 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.775 HD11 HD21 ' A' ' 89' ' ' LEU . 23.5 mt -111.02 107.89 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.142 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 m -105.71 105.22 15.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.823 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -113.36 138.72 49.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.498 ' N ' HD12 ' A' ' 56' ' ' LEU . 2.4 mmm180 -81.91 132.34 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.653 ' CD2' ' CG2' ' A' ' 101' ' ' VAL . 89.0 t80 -156.27 121.59 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 61.39 42.59 11.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.15 35.95 91.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -145.82 162.55 37.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.78 HG11 ' HG2' ' A' ' 29' ' ' GLU . 71.9 t -116.39 114.8 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.856 ' CE1' HG21 ' A' ' 101' ' ' VAL . 93.4 m-85 -96.02 127.22 41.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -100.75 134.23 44.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.698 ' OH ' HG12 ' A' ' 101' ' ' VAL . 73.0 m-85 -129.95 105.47 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.33 124.76 24.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.536 HD13 ' C ' ' A' ' 52' ' ' LEU . 1.9 mp -74.59 122.08 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.229 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -86.47 174.63 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.8 m -153.9 134.77 13.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.6 p -87.62 168.37 13.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.61 -43.69 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.3 -69.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.4 66.64 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -120.17 121.19 38.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.5 m -92.76 129.74 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.509 ' HA ' HD12 ' A' ' 89' ' ' LEU . 26.6 p90 -167.27 117.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 77' ' ' VAL . 32.9 m -95.85 74.85 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 t -176.9 146.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.196 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.42 8.54 43.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.11 -47.94 5.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 t -138.17 -179.88 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 -127.13 170.02 12.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -138.41 152.58 48.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.1 p -75.44 -57.86 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.1 p -125.68 -176.3 3.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 10.2 tp -73.34 -49.41 27.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.39 -30.56 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.069 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.19 -26.34 23.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.775 HD21 HD11 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -69.93 -42.12 73.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.715 ' N ' HD23 ' A' ' 89' ' ' LEU . 75.6 t -83.18 -37.55 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -69.27 -51.83 33.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -60.83 -41.47 95.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -63.81 -39.87 95.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.3 p -46.71 -29.76 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.2 m -87.58 -61.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.558 ' C ' HG22 ' A' ' 103' ' ' THR . 14.2 p -111.03 143.34 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.612 ' N ' HG22 ' A' ' 103' ' ' THR . . . -73.97 -44.82 53.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 t0 57.12 35.36 26.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.26 -28.68 9.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.575 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.496 HD22 ' CE2' ' A' ' 65' ' ' TYR . 18.3 mt -57.69 148.38 24.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.856 HG21 ' CE1' ' A' ' 63' ' ' TYR . 3.7 p -43.08 -40.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.052 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.496 HG22 HG13 ' A' ' 101' ' ' VAL . 10.3 t -171.49 148.05 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.612 HG22 ' N ' ' A' ' 97' ' ' ALA . 75.4 p -64.05 128.25 34.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.53 HD13 ' CE1' ' A' ' 40' ' ' PHE . 26.6 mt -48.81 138.7 10.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.979 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.492 ' CD2' ' H ' ' A' ' 106' ' ' TYR . 4.1 p-80 -118.59 -67.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.492 ' H ' ' CD2' ' A' ' 105' ' ' HIS . 0.9 OUTLIER -118.37 111.25 38.41 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.681 0.753 . . . . 0.0 110.926 -179.829 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 54.5 Cg_endo -69.82 -179.09 2.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.17 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 mttm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.797 0.332 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.504 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 12.6 m80 -57.35 159.43 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.1 m -82.06 -43.96 17.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.504 ' CZ2' ' CG ' ' A' ' 16' ' ' HIS . 1.1 p-90 -60.43 -47.61 85.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -38.74 121.37 1.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -105.48 -42.76 5.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.96 -156.66 15.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 90.98 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.298 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.9 t -117.22 151.03 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ARG . 17.3 m -100.9 145.86 28.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . 16.2 ptt180 -34.9 -42.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -72.17 -65.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.97 -37.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.63 -66.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -47.32 -41.25 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -67.82 -36.98 81.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.14 -54.79 28.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' A' ' 35' ' ' LEU . 5.8 mt -52.77 -32.39 43.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -45.99 -35.34 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.2 t -89.64 32.43 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 32' ' ' LEU . 43.0 mt -143.86 177.45 8.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.994 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 pt -82.06 159.42 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -76.37 51.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.756 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.84 -33.68 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -62.0 158.08 17.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.926 0.393 . . . . 0.0 110.883 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.55 ' CD1' HD22 ' A' ' 104' ' ' LEU . 18.8 p90 -131.65 163.34 28.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.4 pp -141.09 155.82 46.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.762 HG22 HG12 ' A' ' 54' ' ' ILE . 93.4 t -126.48 102.42 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -105.84 173.1 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 45' ' ' SER . 20.8 tt0 -124.68 112.25 16.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' GLU . 43.5 t -36.55 128.89 0.79 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.6 OUTLIER -75.31 -50.24 16.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' GLU . 58.7 m -34.66 -53.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.0 t -130.37 135.5 27.52 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 153.32 69.18 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.695 2.264 . . . . 0.0 112.387 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.56 -49.65 3.18 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -53.99 129.83 35.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 110.975 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.4 mt -118.15 166.93 11.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.413 ' HA ' HD12 ' A' ' 67' ' ' ILE . 21.6 p -158.99 131.38 6.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.932 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.762 HG12 HG22 ' A' ' 42' ' ' VAL . 20.2 mt -102.8 96.8 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.07 97.13 10.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.974 HD21 HG12 ' A' ' 101' ' ' VAL . 0.2 OUTLIER -106.55 122.15 45.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.8 108.73 20.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.603 ' CE1' ' HG2' ' A' ' 59' ' ' GLU . 8.3 t80 -114.86 155.09 27.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.603 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 2.0 pt-20 -30.76 95.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 146.72 -88.91 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.442 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -145.45 175.72 10.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.981 0.42 . . . . 0.0 110.773 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.4 t -79.1 128.24 38.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.524 ' CE2' HG21 ' A' ' 101' ' ' VAL . 16.6 m-85 -117.83 123.97 47.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -109.23 144.15 37.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.41 ' HE2' HD23 ' A' ' 56' ' ' LEU . 2.8 m-85 -127.91 95.95 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -66.15 85.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.627 ' H ' HD12 ' A' ' 67' ' ' ILE . 4.3 mp -37.44 137.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -91.02 173.06 8.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.9 m -147.51 137.47 22.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.4 p -92.57 175.47 6.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.8 -43.37 58.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -67.55 -59.76 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.96 37.92 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -90.54 177.48 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -137.72 134.28 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.584 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 12.6 p90 -172.14 120.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.541 HG22 HD11 ' A' ' 89' ' ' LEU . 17.7 m -101.18 76.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -175.22 170.38 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.405 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -123.39 30.8 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -131.0 -38.8 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 m -140.1 178.6 7.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.584 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 74.4 mtm-85 -135.87 177.73 7.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -143.04 158.13 43.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.9 m -80.62 -57.83 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.8 p -121.75 177.64 5.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.525 HD21 HG11 ' A' ' 42' ' ' VAL . 17.2 tp -69.53 -56.32 7.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.39 -35.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 46.9 mm-40 -74.77 -35.93 62.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.541 HD11 HG22 ' A' ' 77' ' ' VAL . 2.8 tt -65.06 -47.92 75.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.505 ' N ' HD23 ' A' ' 89' ' ' LEU . 55.4 t -71.34 -49.56 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -60.83 -48.72 80.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.469 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 55.3 t-80 -55.92 -56.67 17.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -45.55 -36.33 4.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.4 p -40.4 -30.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 m -84.96 -46.82 10.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 98' ' ' ASP . 14.6 p -128.76 144.97 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.161 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -84.44 12.08 7.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.689 ' H ' HG22 ' A' ' 96' ' ' VAL . 24.3 m-20 -38.48 92.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 107.0 -45.79 1.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.503 HD23 HD21 ' A' ' 104' ' ' LEU . 7.3 mp -76.64 162.82 27.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.894 0.378 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.974 HG12 HD21 ' A' ' 56' ' ' LEU . 1.1 p -59.06 -39.84 79.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.436 ' N ' ' CG1' ' A' ' 101' ' ' VAL . 5.1 t -169.15 146.9 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.213 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.467 ' N ' ' HB2' ' A' ' 97' ' ' ALA . 22.6 p -37.86 108.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.55 HD22 ' CD1' ' A' ' 40' ' ' PHE . 78.4 mt -40.1 133.77 1.66 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -105.99 -68.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -120.15 116.49 32.5 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.752 . . . . 0.0 110.942 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.498 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.71 -42.86 3.09 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.411 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.667 0.746 . . . . 0.0 110.985 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -63.11 160.43 15.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -86.49 -41.48 14.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -68.31 -34.55 76.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -66.37 101.77 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -105.5 39.52 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 37.7 -155.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 112.94 3.2 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.583 HG12 ' HB3' ' A' ' 27' ' ' ALA . 55.8 t -117.9 151.65 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' ARG . 7.4 p -80.4 144.42 32.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' SER . 1.9 mpp_? -37.52 -59.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ALA . 2.3 m -57.15 -57.74 11.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.583 ' HB3' HG12 ' A' ' 23' ' ' VAL . . . -37.29 -40.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.58 -59.86 4.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.71 ' HG2' HG21 ' A' ' 62' ' ' VAL . 18.0 mt-10 -56.94 -50.44 72.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.58 -67.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tp -46.38 -32.32 3.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 35' ' ' LEU . 20.7 mt -74.6 -40.96 61.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.7 t -47.38 -58.11 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -55.0 -51.73 65.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 32' ' ' LEU . 64.9 mt -47.86 155.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.2 pt -61.44 -178.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -86.87 48.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.88 31.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.413 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.9 m -112.66 144.62 41.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 107' ' ' PRO . 11.7 p90 -131.69 154.33 49.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.561 ' CB ' ' HB2' ' A' ' 108' ' ' ALA . 1.2 pp -146.8 152.15 38.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -114.9 126.1 72.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.6 ptt85 -128.86 -176.68 3.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -115.46 124.5 51.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.9 p -66.07 125.5 25.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -80.9 165.89 21.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.7 t 58.36 42.54 21.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -154.39 156.57 31.82 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.59 0.71 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 82.38 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.67 2.247 . . . . 0.0 112.316 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 46.21 51.15 11.9 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -96.89 156.48 16.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.759 ' CB ' HD12 ' A' ' 67' ' ' ILE . 4.8 mt -130.51 164.36 25.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.1 t -158.5 143.67 16.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.7 mt -100.06 129.81 50.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -121.14 109.7 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.814 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -118.82 146.31 44.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.601 ' N ' HD12 ' A' ' 56' ' ' LEU . 4.0 mmm180 -88.72 122.23 31.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.564 ' HB2' HD11 ' A' ' 56' ' ' LEU . 32.9 t80 -132.96 133.89 43.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.423 ' HG2' ' CD2' ' A' ' 58' ' ' TYR . 8.4 pt-20 36.38 38.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.88 49.35 29.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -146.88 156.05 42.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.8 0.334 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.71 HG21 ' HG2' ' A' ' 29' ' ' GLU . 49.5 t -107.99 92.6 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.692 ' CD2' HG11 ' A' ' 101' ' ' VAL . 76.4 m-85 -86.62 124.72 33.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -107.33 123.08 47.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.637 ' OH ' HG13 ' A' ' 101' ' ' VAL . 4.4 m-85 -115.48 100.07 7.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.558 ' O ' HG12 ' A' ' 77' ' ' VAL . 22.0 mtt180 -55.5 145.2 23.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.759 HD12 ' CB ' ' A' ' 52' ' ' LEU . 95.9 mt -103.48 118.63 50.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -93.11 138.29 31.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.8 m -113.51 137.83 51.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.8 p -90.57 170.15 10.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.59 -66.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.013 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -53.1 -54.78 30.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 137.84 62.32 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.431 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -116.3 132.5 56.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.2 m -100.4 140.9 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.467 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 10.5 p90 -171.2 118.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 77' ' ' VAL . 34.0 m -100.19 75.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 1.3 t -175.81 172.03 2.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -125.86 18.36 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -110.89 -31.6 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -156.3 174.43 15.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 82' ' ' ARG . 26.7 mtm105 -127.14 158.75 36.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -122.22 163.79 18.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.7 m -85.35 -56.97 3.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.7 p -123.73 176.24 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.209 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' ALA . 11.6 tp -65.6 -56.78 10.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -34.11 -53.86 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -64.04 -54.58 31.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.814 HD23 ' C ' ' A' ' 89' ' ' LEU . 2.7 tt -38.97 -52.9 1.79 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 104' ' ' LEU . 47.3 t -74.95 -55.47 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -52.02 -67.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -40.15 -56.06 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 95' ' ' THR . 16.7 m170 -49.87 -39.53 39.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.7 m -44.15 -22.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.838 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 93' ' ' HIS . 71.4 m -88.67 -42.27 12.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.492 HG13 ' HB2' ' A' ' 98' ' ' ASP . 7.5 p -132.32 144.9 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.167 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -80.53 12.42 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.189 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.492 ' HB2' HG13 ' A' ' 96' ' ' VAL . 36.2 m-20 -49.62 87.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 126.86 -47.23 1.03 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.552 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 65' ' ' TYR . 25.4 mt -90.47 174.25 7.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.953 0.406 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.692 HG11 ' CD2' ' A' ' 63' ' ' TYR . 3.4 m -71.45 -28.23 31.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.7 t -162.1 154.41 19.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.5 p -56.7 132.0 50.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.493 HD22 ' CG ' ' A' ' 40' ' ' PHE . 89.9 mt -55.6 109.13 0.51 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -78.25 -65.26 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -137.13 133.34 18.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.692 0.758 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.507 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.71 -176.1 1.36 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.731 2.287 . . . . 0.0 112.323 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.561 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.714 0.769 . . . . 0.0 111.072 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.848 0.356 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -46.13 149.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.792 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 m -72.72 -49.47 30.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.5 p-90 -64.74 -41.88 95.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -62.52 113.81 3.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' GLY . 13.0 m80 -123.14 42.78 3.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . 36.77 -153.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 124.57 11.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.318 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.3 t -131.78 124.21 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 m -52.57 143.28 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -45.54 -56.6 4.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.9 p -57.34 -45.72 84.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.81 -47.43 77.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.452 ' HB2' ' HD2' ' A' ' 43' ' ' ARG . . . -56.59 -59.19 5.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.944 ' HG2' HG21 ' A' ' 62' ' ' VAL . 37.3 mt-10 -56.8 -54.98 40.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -51.94 -50.39 61.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 mt -53.82 -43.6 69.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 57' ' ' ARG . 37.7 mt -67.18 -54.97 16.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' LEU . 60.0 p -34.16 -44.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -66.66 -49.24 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' LEU . 34.0 mt -71.27 157.01 38.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.986 HD12 ' N ' ' A' ' 38' ' ' GLY . 2.6 pp -59.0 154.89 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -75.68 47.46 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.808 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.986 ' N ' HD12 ' A' ' 36' ' ' ILE . . . -138.55 -18.08 0.56 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.554 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -88.61 160.69 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 110.824 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 104' ' ' LEU . 29.5 p90 -129.52 173.01 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.482 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.1 pp -154.2 150.05 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.24 102.09 12.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.452 ' HD2' ' HB2' ' A' ' 28' ' ' ALA . 4.5 ptm180 -107.58 156.91 18.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -108.16 135.46 49.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.4 t -58.67 145.12 41.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -64.53 136.88 57.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.7 m 53.41 39.29 29.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 m -131.55 85.21 53.18 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.697 0.761 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 108.48 2.1 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.665 2.243 . . . . 0.0 112.415 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.37 -53.2 0.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -58.54 149.9 24.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.365 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.55 ' HB2' HD13 ' A' ' 67' ' ' ILE . 84.0 mt -145.36 170.11 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.2 m -150.74 134.09 16.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.449 HG13 HD11 ' A' ' 67' ' ' ILE . 22.2 mt -98.9 96.21 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.1 m -91.93 86.93 6.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.061 HD21 HG12 ' A' ' 101' ' ' VAL . 0.5 OUTLIER -100.61 132.57 45.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.92 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.616 ' HB2' HD13 ' A' ' 32' ' ' LEU . 6.4 tpt180 -88.2 131.56 34.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -153.35 117.79 4.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 68.22 37.44 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.87 46.15 92.36 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.4 mtp85 -153.16 147.21 25.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.944 HG21 ' HG2' ' A' ' 29' ' ' GLU . 21.7 t -101.42 114.7 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.728 ' CE2' HG21 ' A' ' 101' ' ' VAL . 35.2 m-85 -108.43 127.84 54.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -106.94 148.18 28.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.439 ' CE2' HD23 ' A' ' 100' ' ' LEU . 91.7 m-85 -134.05 106.47 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -66.74 86.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 67' ' ' ILE . 5.3 mp -43.01 99.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -60.35 154.02 21.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.491 HG22 ' H ' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -139.62 146.47 39.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 p -103.52 114.03 27.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 51.75 25.01 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 t0 73.56 47.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.963 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.491 ' H ' HG22 ' A' ' 69' ' ' THR . . . -143.03 -99.57 0.32 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.447 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -56.72 155.12 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.729 HG22 ' HA ' ' A' ' 85' ' ' THR . 27.1 m -132.9 143.3 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.581 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 4.8 p90 -175.1 132.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.855 HG13 HD11 ' A' ' 89' ' ' LEU . 34.5 m -103.76 73.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.165 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 2.6 t -178.67 167.1 1.76 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.02 -12.33 11.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -80.29 -46.94 15.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.0 p -130.72 -173.65 3.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.581 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 46.8 mtm180 -137.99 176.35 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 82' ' ' ARG . 43.1 m-85 -148.7 141.62 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.428 ' OG ' HG23 ' A' ' 85' ' ' THR . 3.3 t -57.72 -58.48 8.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.729 ' HA ' HG22 ' A' ' 75' ' ' VAL . 21.1 p -141.57 175.06 9.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.515 ' N ' HG21 ' A' ' 75' ' ' VAL . 11.2 tp -47.0 -54.15 10.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -35.81 -51.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -72.12 -37.65 69.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.855 HD11 HG13 ' A' ' 77' ' ' VAL . 6.0 tt -57.54 -47.58 81.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.616 HG13 HD13 ' A' ' 104' ' ' LEU . 82.1 t -81.26 -36.59 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.182 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -68.18 -67.27 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -41.77 -50.49 4.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.784 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.506 ' CD2' ' HB3' ' A' ' 98' ' ' ASP . 26.7 m170 -58.36 -44.38 88.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' HIS . 23.0 t -33.31 -37.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 93' ' ' HIS . 49.1 m -76.02 -52.4 10.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.555 HG22 ' H ' ' A' ' 98' ' ' ASP . 7.2 p -132.57 138.73 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.46 ' N ' HG22 ' A' ' 103' ' ' THR . . . -49.58 -41.85 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.555 ' H ' HG22 ' A' ' 96' ' ' VAL . 8.0 t70 51.78 39.17 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.08 38.34 4.88 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.481 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.439 HD23 ' CE2' ' A' ' 65' ' ' TYR . 27.5 mt -131.38 147.67 52.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.954 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 1.061 HG12 HD21 ' A' ' 56' ' ' LEU . 9.3 p -39.18 -34.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.495 HG22 HG13 ' A' ' 101' ' ' VAL . 6.2 t -175.49 153.86 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.462 HG22 ' C ' ' A' ' 96' ' ' VAL . 3.7 p -62.34 142.1 57.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.616 HD13 HG13 ' A' ' 90' ' ' VAL . 17.7 mt -87.23 96.69 10.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -117.96 -24.01 7.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -112.47 80.77 3.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.492 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 55.1 Cg_endo -69.69 146.53 60.91 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.409 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 111.104 179.832 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.493 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 63.3 m-70 -77.15 145.75 37.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.814 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 m -63.99 -49.79 71.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.78 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.2 p-90 -60.36 -34.37 73.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -68.29 118.25 11.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -97.02 -48.95 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 132.3 -152.77 20.31 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.468 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 90.47 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.636 2.224 . . . . 0.0 112.404 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.9 t -122.38 135.47 62.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' SER . 24.8 t -86.63 137.14 32.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -33.36 -35.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' SER . 2.3 m -74.34 -51.34 15.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' SER . . . -60.09 -45.17 93.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.195 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 29' ' ' GLU . . . -50.0 -70.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.596 ' HG2' HG21 ' A' ' 62' ' ' VAL . 7.3 mt-10 -37.6 -47.52 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.11 -48.67 80.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.21 -45.97 91.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.596 ' HG ' HD23 ' A' ' 41' ' ' LEU . 4.2 mt -58.46 -42.91 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.3 t -43.0 -45.02 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.6 m -69.97 -48.79 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.783 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.521 HD12 HD23 ' A' ' 32' ' ' LEU . 42.1 mt -45.1 158.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.4 pt -45.5 169.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.186 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -82.21 43.73 0.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.73 66.18 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.449 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.4 p -131.71 148.6 52.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.382 . . . . 0.0 110.897 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.625 ' CG ' HD22 ' A' ' 104' ' ' LEU . 3.6 p90 -121.48 128.86 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.596 HD23 ' HG ' ' A' ' 32' ' ' LEU . 1.5 pp -126.34 156.97 39.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.721 HG22 HG12 ' A' ' 54' ' ' ILE . 80.8 t -122.04 106.12 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.4 ptt85 -94.41 179.46 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -140.44 164.7 29.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -108.25 136.29 48.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' SER . 19.5 mt-10 -82.13 -62.25 1.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' GLU . 7.2 t -34.59 -63.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.7 m -99.35 127.6 34.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.605 0.717 . . . . 0.0 110.836 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 162.43 42.11 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.48 42.62 26.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.454 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -123.14 92.48 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.533 ' CB ' HD13 ' A' ' 67' ' ' ILE . 17.7 mt -102.55 169.84 8.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.2 m -159.65 138.02 10.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.721 HG12 HG22 ' A' ' 42' ' ' VAL . 63.9 mt -101.66 86.94 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.0 m -83.81 96.71 8.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.766 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.089 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -108.04 137.77 45.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.939 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.812 ' HD3' HG22 ' A' ' 62' ' ' VAL . 6.4 mmm180 -96.44 139.1 33.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 60' ' ' GLY . 35.9 t80 -153.49 157.66 40.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' TYR . 19.1 mt-10 -34.47 93.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 146.56 -105.15 0.32 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.524 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.17 172.47 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.812 HG22 ' HD3' ' A' ' 57' ' ' ARG . 66.6 t -69.26 122.52 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.84 ' CE2' HG21 ' A' ' 101' ' ' VAL . 11.4 m-85 -109.36 144.4 37.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -130.08 165.62 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -144.23 118.96 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.43 ' NE ' ' OD1' ' A' ' 68' ' ' ASN . 3.9 tmm_? -79.1 120.08 23.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.578 ' HA ' HG12 ' A' ' 77' ' ' VAL . 5.1 mp -77.05 128.2 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.43 ' OD1' ' NE ' ' A' ' 66' ' ' ARG . 48.1 m-20 -121.75 160.69 24.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.06 177.93 4.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 71' ' ' ALA . 72.4 p -118.15 -75.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.418 ' N ' ' OG1' ' A' ' 70' ' ' THR . . . -124.65 -74.54 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.36 -60.59 2.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -176.61 34.6 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -86.81 111.17 20.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.386 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 m -77.11 146.99 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 7.9 p90 -165.74 113.94 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.723 HG13 HD11 ' A' ' 89' ' ' LEU . 34.5 m -99.55 75.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 t -176.21 169.22 2.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.84 29.29 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -133.78 -40.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.9 p -132.35 -175.7 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -142.71 163.78 31.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -136.65 159.36 42.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.823 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.2 m -72.47 -65.41 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.9 p -125.53 174.16 8.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' ALA . 12.9 tp -60.32 -54.49 45.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -33.81 -48.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -74.8 -42.48 58.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.723 HD11 HG13 ' A' ' 77' ' ' VAL . 4.2 tt -51.27 -41.7 60.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.579 HG13 HD13 ' A' ' 104' ' ' LEU . 57.8 t -82.65 -53.35 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 94' ' ' SER . 63.3 t60 -58.15 -64.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.77 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 91' ' ' HIS . 4.0 t60 -36.98 -55.12 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 95' ' ' THR . 11.3 m170 -60.6 -34.9 74.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.812 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 91' ' ' HIS . 7.6 t -36.34 -33.86 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 93' ' ' HIS . 63.6 m -80.83 -53.89 6.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.662 HG22 ' H ' ' A' ' 98' ' ' ASP . 14.4 p -122.67 144.6 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.649 ' HB2' ' N ' ' A' ' 103' ' ' THR . . . -86.7 15.46 5.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.662 ' H ' HG22 ' A' ' 96' ' ' VAL . 6.0 t0 -40.87 91.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 96.23 29.68 8.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' ALA . 82.6 mt -146.01 174.2 11.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 1.089 ' CG1' HD21 ' A' ' 56' ' ' LEU . 7.4 p -72.39 -38.13 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.406 HG22 HG13 ' A' ' 101' ' ' VAL . 10.6 t -172.2 138.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.649 ' N ' ' HB2' ' A' ' 97' ' ' ALA . 21.6 p -42.35 126.15 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.625 HD22 ' CG ' ' A' ' 40' ' ' PHE . 71.8 mt -56.69 96.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -65.56 -71.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -125.58 132.61 24.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.5 ' HB2' ' N ' ' A' ' 18' ' ' TRP . 52.5 Cg_endo -69.8 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.655 2.236 . . . . 0.0 112.345 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.659 0.742 . . . . 0.0 111.137 179.77 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 p -153.74 114.17 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.829 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -129.8 151.04 50.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.86 103.25 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.477 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 p -172.29 110.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -136.32 147.6 47.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.88 140.68 30.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.449 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.0 p -118.35 143.84 33.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 0.0 111.164 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -30.38 22.59 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.692 2.262 . . . . 0.0 112.378 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.6 t -53.5 135.98 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -88.12 144.8 26.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 m -141.24 158.24 44.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.38 37.71 3.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 25.2 mp0 -116.2 81.29 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 16' ' ' HIS . 3.5 mmmm -90.86 -62.16 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 15' ' ' LYS . 36.6 m-70 -34.51 142.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 50.2 m -68.44 -47.52 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.453 ' N ' ' HB2' ' A' ' 107' ' ' PRO . 1.3 p-90 -66.19 -43.22 87.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.439 ' CB ' ' HB2' ' A' ' 16' ' ' HIS . 28.0 t80 -58.31 125.33 22.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -131.71 40.28 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 41.93 -153.33 0.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.552 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 122.59 9.27 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 27' ' ' ALA . 97.8 t -140.44 127.16 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.16 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -57.63 140.72 50.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 25' ' ' ARG . 6.2 tmm_? -40.68 -50.11 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.3 t -62.69 -49.65 74.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.5 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . . . -44.05 -45.43 8.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.79 -59.53 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.693 ' HG2' HG21 ' A' ' 62' ' ' VAL . 34.9 mt-10 -51.61 -49.62 61.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -57.88 -65.49 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 tt -42.59 -45.76 4.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 mt -51.33 -37.38 47.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.6 t -56.83 -25.56 56.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.3 t -90.67 35.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.795 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.5 mt -151.74 173.82 14.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.935 HD11 ' CD2' ' A' ' 106' ' ' TYR . 49.2 pt -70.39 176.73 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -84.66 43.65 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.36 39.53 0.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -110.96 142.5 42.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.771 ' CG ' HD22 ' A' ' 104' ' ' LEU . 2.8 p90 -131.87 127.8 37.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 pp -124.05 160.54 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.1 t -120.8 103.09 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.4 ptt85 -93.76 160.93 14.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -131.48 128.21 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -79.96 153.03 29.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -91.65 -53.71 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.6 m -40.62 -70.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.1 t -67.37 140.56 95.21 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.645 0.735 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 108.93 2.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.13 65.52 3.46 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.517 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -112.24 105.1 13.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.6 mt -97.54 168.94 10.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.9 t -168.81 136.33 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.7 mt -103.36 107.29 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -114.31 103.24 10.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.899 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.3 OUTLIER -105.82 135.67 46.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.894 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' N ' HD12 ' A' ' 56' ' ' LEU . 8.7 tpt180 -82.43 140.22 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.615 ' CD2' HG21 ' A' ' 102' ' ' THR . 4.5 t80 -161.6 128.13 3.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 4.7 tt0 50.16 40.45 21.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.45 38.29 93.39 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -145.01 149.36 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.353 . . . . 0.0 110.893 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.693 HG21 ' HG2' ' A' ' 29' ' ' GLU . 85.3 t -113.4 106.56 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.633 ' CE2' HG21 ' A' ' 101' ' ' VAL . 89.7 m-85 -86.47 115.99 24.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -88.76 137.71 32.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -131.19 82.18 2.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -61.93 104.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 67' ' ' ILE . 4.6 mp -57.67 126.57 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -85.17 175.41 8.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.6 m -140.47 135.09 31.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 75.8 p -92.42 165.54 13.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.81 -48.73 10.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.114 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -64.93 -62.99 1.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.77 43.39 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -103.99 164.71 11.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.443 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 17.3 m -123.67 135.83 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.428 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 11.5 p90 -167.8 123.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.704 ' O ' HG23 ' A' ' 77' ' ' VAL . 34.2 m -106.35 74.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -177.52 166.55 2.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.11 3.78 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -89.85 -45.58 9.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.35 -174.93 4.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -131.47 165.71 22.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -128.9 156.24 44.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.7 p -73.84 -62.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.8 p -122.43 176.08 6.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' LEU . 17.7 tp -63.43 -54.91 29.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.986 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -37.65 -46.45 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -68.91 -35.79 77.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.559 HD23 ' C ' ' A' ' 89' ' ' LEU . 7.4 tt -58.32 -48.35 80.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.823 HG13 HD13 ' A' ' 104' ' ' LEU . 93.7 t -79.54 -39.95 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -59.04 -61.82 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -53.66 -53.81 46.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.9 m170 -52.82 -47.45 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' HIS . 35.6 t -35.44 -40.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.1 m -74.11 -59.02 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.5 p -125.34 136.97 59.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.47 71.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 t70 51.81 40.21 27.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.85 -49.83 0.87 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.44 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.3 mt -48.45 173.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.899 ' CG1' HD21 ' A' ' 56' ' ' LEU . 10.6 p -70.03 -32.22 50.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.615 HG21 ' CD2' ' A' ' 58' ' ' TYR . 64.0 p -159.01 -176.25 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.3 p -95.64 109.81 22.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.823 HD13 HG13 ' A' ' 90' ' ' VAL . 40.7 mt -47.02 101.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -110.76 -53.0 2.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.935 ' CD2' HD11 ' A' ' 36' ' ' ILE . 25.1 m-85 -104.66 93.04 5.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.713 0.768 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.76 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -159.5 151.76 17.41 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.554 0.693 . . . . 0.0 111.099 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.476 ' O ' ' C ' ' A' ' 110' ' ' LYS . 54.6 Cg_endo -69.78 179.05 3.98 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.613 2.208 . . . . 0.0 112.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 109' ' ' PRO . 20.5 mttt 31.92 47.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 26.8 p -62.63 128.27 35.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.48 129.63 53.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -96.26 -44.56 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.0 m -107.48 120.75 43.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -130.59 -171.3 12.88 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 179.82 3.45 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.1 t -98.34 153.03 18.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.76 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.7 p -171.81 135.92 0.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 66.63 42.96 2.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.346 . . . . 0.0 110.861 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -145.13 127.11 15.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.16 -137.03 2.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m 55.0 45.67 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.926 0.393 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -110.91 127.51 55.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.48 57.77 3.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.424 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 40.1 p -103.03 96.54 8.1 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.608 0.718 . . . . 0.0 111.138 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 8' ' ' THR . 53.8 Cg_endo -69.74 -38.13 8.27 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.3 m -149.96 142.72 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -170.43 132.66 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m -85.96 91.58 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mt -117.99 81.88 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.994 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 45.58 44.75 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -48.62 -53.64 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -66.32 157.51 31.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -79.47 -44.89 20.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.756 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -66.58 -37.75 85.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -70.49 102.91 2.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -107.2 40.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 43.71 -156.85 0.16 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.543 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 121.42 8.1 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.761 2.307 . . . . 0.0 112.247 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -136.2 131.9 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.5 t -60.42 150.83 29.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -51.18 -66.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.0 p -44.44 -41.1 5.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.26 -57.95 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.22 -58.59 2.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.575 ' HG2' HG21 ' A' ' 62' ' ' VAL . 10.6 mt-10 -46.74 -56.33 6.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -55.77 -43.3 76.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.518 ' O ' HD13 ' A' ' 31' ' ' LEU . 1.4 tm? -59.73 -34.26 72.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 mt -70.77 -44.34 66.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 p -56.37 -27.29 55.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -87.68 34.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.553 HD11 ' HD3' ' A' ' 109' ' ' PRO . 21.1 mt -149.44 165.78 31.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.2 pt -52.34 177.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -85.25 44.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.25 51.06 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.559 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 m -116.86 148.23 41.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.901 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.81 ' CG ' HD22 ' A' ' 104' ' ' LEU . 8.4 p90 -127.46 148.48 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -144.28 153.23 41.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.485 ' N ' HD12 ' A' ' 41' ' ' LEU . 98.2 t -118.17 128.28 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.052 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 -122.86 -179.23 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -154.1 140.11 18.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.486 ' CB ' ' CD ' ' A' ' 51' ' ' GLN . 9.5 t -79.65 150.49 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -87.09 -56.68 3.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 m -79.85 60.39 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -160.86 156.26 21.25 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.59 0.71 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.2 Cg_endo -69.82 86.98 0.57 Allowed 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.679 2.253 . . . . 0.0 112.315 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' PRO . . . 34.68 52.12 0.8 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.486 ' CD ' ' CB ' ' A' ' 45' ' ' SER . 7.9 pt20 -75.8 167.3 22.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.525 ' C ' HD13 ' A' ' 67' ' ' ILE . 96.0 mt -156.41 143.03 18.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.8 m -149.23 142.48 25.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.472 HG12 HG22 ' A' ' 42' ' ' VAL . 68.0 mt -104.91 111.58 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 m -108.74 122.15 46.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.813 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -128.8 143.11 50.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.548 ' N ' HD12 ' A' ' 56' ' ' LEU . 22.5 tpp85 -83.68 111.48 19.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.771 ' HB2' HD11 ' A' ' 56' ' ' LEU . 47.6 t80 -126.09 111.83 15.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 63.95 39.22 8.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.89 -5.25 25.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.575 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -103.15 152.88 20.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.4 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.575 HG21 ' HG2' ' A' ' 29' ' ' GLU . 20.1 t -100.65 126.08 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.558 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 94.2 m-85 -115.95 124.38 50.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.944 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.438 ' ND1' ' C ' ' A' ' 64' ' ' HIS . 1.5 p80 -102.67 143.8 31.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.47 ' OH ' HG13 ' A' ' 101' ' ' VAL . 3.5 m-85 -134.99 103.99 5.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.559 ' O ' HG12 ' A' ' 77' ' ' VAL . 2.5 mmm180 -63.91 143.03 58.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.577 ' CG2' HG12 ' A' ' 75' ' ' VAL . 4.4 mp -95.14 119.74 43.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -88.08 127.0 35.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.2 m -103.44 145.91 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.9 p -102.89 173.09 6.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.84 -54.29 5.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -65.8 -66.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.04 46.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -98.49 130.14 45.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.905 0.384 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.577 HG12 ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -97.76 138.2 23.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.65 ' HA ' HD12 ' A' ' 89' ' ' LEU . 15.2 p90 -171.32 122.03 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 66' ' ' ARG . 21.3 m -98.6 76.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.086 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -174.55 172.03 3.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.424 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -125.96 29.43 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -128.31 -29.96 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 t -153.82 -175.6 5.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.4 mtm105 -135.21 173.66 11.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -137.35 144.29 42.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.492 ' OG ' HG23 ' A' ' 85' ' ' THR . 1.0 OUTLIER -50.34 -65.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.492 HG23 ' OG ' ' A' ' 84' ' ' SER . 29.2 p -142.17 171.4 14.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 tp -43.7 -52.24 6.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.958 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.34 -58.86 1.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.189 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.86 -38.57 91.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.68 HD23 ' N ' ' A' ' 90' ' ' VAL . 5.1 tt -55.37 -61.45 2.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.68 ' N ' HD23 ' A' ' 89' ' ' LEU . 95.8 t -65.87 -46.53 88.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -58.09 -66.45 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -44.82 -44.65 9.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.797 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -52.72 -39.88 62.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -40.63 -38.85 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.0 m -78.14 -60.82 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 p -123.5 142.87 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.32 -61.92 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.5 t0 47.81 51.16 14.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 138.02 -67.96 0.52 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 100' ' ' LEU . 7.5 mp -53.03 -178.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.368 . . . . 0.0 110.826 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.56 HG22 HD21 ' A' ' 56' ' ' LEU . 2.8 m -82.02 -28.33 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.111 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.2 t -161.53 154.54 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.8 p -58.15 125.77 24.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.232 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.81 HD22 ' CG ' ' A' ' 40' ' ' PHE . 70.8 mt -55.24 114.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -82.88 -60.04 2.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -139.57 135.24 16.74 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.795 0.807 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.414 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.77 -164.63 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.664 2.242 . . . . 0.0 112.307 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.642 ' HB1' ' HD2' ' A' ' 109' ' ' PRO . . . -76.06 162.26 72.28 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.638 0.732 . . . . 0.0 111.101 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.642 ' HD2' ' HB1' ' A' ' 108' ' ' ALA . 54.0 Cg_endo -69.8 135.51 30.55 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.594 2.196 . . . . 0.0 112.332 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -66.07 110.41 2.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.7 m -131.06 34.85 3.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -117.02 86.18 2.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.24 53.73 2.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.5 t -53.61 148.12 10.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.24 146.52 14.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -32.52 18.34 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.297 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.5 t -110.37 143.93 39.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.7 m -93.54 99.64 12.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.231 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 m -160.13 137.24 9.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -153.37 138.5 17.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.45 -157.51 8.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -173.31 151.74 2.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -132.84 172.42 12.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.798 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.43 87.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 p -69.89 121.86 84.13 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.539 0.685 . . . . 0.0 111.133 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -20.85 34.56 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.369 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.2 m 37.76 36.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -102.01 -57.61 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.7 p 45.3 36.05 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mt -86.68 43.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -75.73 48.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -97.26 -47.22 5.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.497 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 7.8 m80 -41.76 147.44 0.2 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.9 t -72.95 -47.43 45.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.9 p-90 -59.29 -43.04 92.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -59.23 137.62 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -124.18 -51.83 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.93 -156.28 22.79 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 86.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.362 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.6 t -101.74 137.62 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.217 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.5 m -70.11 164.68 23.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -56.59 -66.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -56.88 -44.45 82.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.63 -53.67 17.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.9 -60.45 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.59 ' HG2' HG21 ' A' ' 62' ' ' VAL . 48.6 mt-10 -53.58 -52.57 59.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -42.9 -69.93 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -38.95 -52.0 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.008 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.3 mt -55.35 -43.82 75.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -43.37 -42.43 4.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.8 m -70.56 -47.59 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.795 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.3 mt -59.42 173.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.99 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.9 pt -84.47 -175.82 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -50.13 60.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.16 62.46 2.57 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.405 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -138.89 160.38 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.803 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.541 ' CE2' ' HB3' ' A' ' 104' ' ' LEU . 3.1 p90 -158.9 159.81 35.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 42' ' ' VAL . 1.2 pp -152.48 160.16 43.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.466 ' N ' HD12 ' A' ' 41' ' ' LEU . 21.8 t -128.48 104.58 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 -95.24 155.68 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -119.66 148.28 43.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -78.01 147.08 35.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -85.4 -70.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 61.3 p -73.88 -58.7 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -41.48 162.78 0.12 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.731 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -162.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.274 . . . . 0.0 112.251 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.68 65.08 1.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -112.2 86.95 2.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mp -84.07 167.66 16.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.6 t -162.08 142.02 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.437 HG12 HG22 ' A' ' 42' ' ' VAL . 17.4 mt -99.84 104.21 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.2 m -93.89 100.75 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.75 HD21 ' HB ' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -109.65 137.0 48.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.418 ' HG2' HG22 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -97.35 100.36 11.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.656 ' HB2' HD11 ' A' ' 56' ' ' LEU . 92.7 t80 -111.26 157.23 20.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -38.45 96.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 140.74 -98.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.451 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 60' ' ' GLY . 2.8 mpt_? -133.32 166.51 22.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.832 0.349 . . . . 0.0 110.832 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.59 HG21 ' HG2' ' A' ' 29' ' ' GLU . 46.3 t -75.75 122.72 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.867 ' CD2' HG21 ' A' ' 101' ' ' VAL . 9.4 m-85 -106.06 144.07 33.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -124.19 124.17 41.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.948 ' OH ' HG23 ' A' ' 101' ' ' VAL . 62.1 m-85 -100.28 101.29 12.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -67.49 105.2 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 67' ' ' ILE . 3.5 mp -56.36 133.63 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -92.35 154.18 18.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.825 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.4 m -136.96 131.79 33.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.2 p -91.56 -177.22 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.81 -55.57 32.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.73 -61.3 2.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.73 59.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -117.89 140.31 49.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.77 0.319 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.4 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 32.7 m -108.67 132.16 57.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.154 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.445 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 27.1 p90 -167.07 121.53 1.04 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.818 HG13 HD11 ' A' ' 89' ' ' LEU . 29.7 m -99.81 75.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.044 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -176.65 148.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.05 12.17 37.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -99.02 -46.81 5.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -142.79 177.43 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.909 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.445 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 38.8 mtm-85 -125.37 161.38 27.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.471 ' CD2' ' HA ' ' A' ' 89' ' ' LEU . 48.4 m-85 -125.82 169.24 12.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.4 m -98.81 -41.92 7.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.4 p -128.92 161.49 29.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.176 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 87' ' ' ALA . 29.4 tp -60.05 -53.55 56.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -35.79 -41.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -71.31 -47.41 56.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.818 HD11 HG13 ' A' ' 77' ' ' VAL . 1.6 tt -48.66 -35.82 14.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.635 ' O ' HD12 ' A' ' 104' ' ' LEU . 58.5 t -90.78 -44.85 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.498 ' O ' ' CB ' ' A' ' 94' ' ' SER . 7.3 t-160 -64.82 -60.71 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.808 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -39.15 -49.55 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -83.98 33.67 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 25.7 t -99.2 -12.81 20.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -103.89 -36.48 7.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.491 HG21 ' OD2' ' A' ' 98' ' ' ASP . 7.7 p -130.53 156.66 42.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -92.33 13.57 18.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.491 ' OD2' HG21 ' A' ' 96' ' ' VAL . 22.6 m-20 -54.82 83.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 128.17 -32.79 3.33 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.0 mt -107.58 173.56 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.342 . . . . 0.0 110.921 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.948 HG23 ' OH ' ' A' ' 65' ' ' TYR . 13.0 t -64.68 -50.85 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.6 t -140.94 161.81 36.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.475 HG22 ' CA ' ' A' ' 96' ' ' VAL . 0.9 OUTLIER -67.12 111.15 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.052 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 90' ' ' VAL . 51.6 mt -46.45 112.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.402 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 5.0 m170 -113.75 -60.63 1.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -104.29 93.89 6.23 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-O 121.663 0.744 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.493 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 54.2 Cg_endo -69.78 -31.57 20.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.347 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -174.47 150.58 1.48 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.643 0.735 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 149.64 67.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -106.44 -15.85 14.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.4 t -162.21 173.04 14.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -98.68 -47.96 5.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -107.03 141.91 37.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 m -119.67 -56.76 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 127.41 145.8 6.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.447 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -40.66 5.04 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.6 p -80.66 126.56 31.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.8 p -100.12 -46.11 5.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.796 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.529 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.5 m -162.02 173.53 14.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -122.84 169.33 11.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.69 -166.11 16.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 m -146.87 174.98 11.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 110.929 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -118.45 -62.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.94 -164.18 25.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.7 p -123.18 120.68 27.26 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.528 0.68 . . . . 0.0 111.207 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.77 -39.21 6.76 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.741 2.294 . . . . 0.0 112.344 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 10' ' ' VAL . 11.1 m -57.87 128.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' VAL . 26.7 m-20 -35.63 140.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -140.49 125.18 18.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.473 HD23 ' H ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -112.14 57.5 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -100.81 90.45 4.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -95.9 -38.98 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -68.56 152.83 44.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.2 m -80.84 -33.89 34.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.451 ' CE3' HG21 ' A' ' 42' ' ' VAL . 7.7 p-90 -78.17 -33.19 50.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -68.23 88.73 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.01 -61.02 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.1 -101.98 1.68 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.386 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 82.86 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.249 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.6 t -120.56 131.14 73.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.0 t -80.54 152.63 28.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.77 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -42.46 -60.26 1.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.9 t -57.08 -54.69 43.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.49 -51.61 6.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.3 -58.28 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.524 ' HG2' HG21 ' A' ' 62' ' ' VAL . 35.0 mt-10 -64.27 -59.17 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -44.18 -63.83 0.8 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.18 -53.72 2.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' SER . 57.5 mt -51.54 -59.07 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' LEU . 23.1 t -35.29 -49.47 0.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.9 m -57.25 -47.58 81.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' LEU . 11.2 mt -59.71 -178.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.743 HD11 ' CD2' ' A' ' 106' ' ' TYR . 30.1 pt -75.72 170.03 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -79.14 52.47 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.834 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.53 39.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.504 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -112.66 158.44 20.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 7.8 p90 -131.31 155.49 47.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -145.56 159.97 42.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.564 ' N ' HD12 ' A' ' 41' ' ' LEU . 29.5 t -128.89 116.82 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -117.76 160.54 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HA ' HD23 ' A' ' 52' ' ' LEU . 4.7 tp10 -94.69 138.69 32.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.0 t -60.08 148.96 33.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.98 -45.53 49.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.5 p -47.16 -65.61 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.5 m -129.07 143.46 48.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.732 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.87 8.96 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -98.68 -46.36 2.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -61.01 157.71 14.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.458 ' CB ' HD13 ' A' ' 67' ' ' ILE . 24.3 mt -142.61 168.85 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.9 t -157.02 141.74 16.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.4 mt -102.93 98.34 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.185 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 m -93.68 97.95 10.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.988 HD21 HG12 ' A' ' 101' ' ' VAL . 0.6 OUTLIER -115.68 144.22 44.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.409 ' N ' HD12 ' A' ' 56' ' ' LEU . 15.6 tpp180 -93.77 142.72 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -167.55 128.91 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 51.9 43.2 30.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.94 36.17 92.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -140.04 152.25 46.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.524 HG21 ' HG2' ' A' ' 29' ' ' GLU . 25.2 t -116.55 101.27 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.875 ' CE2' HG21 ' A' ' 101' ' ' VAL . 99.2 m-85 -85.55 143.24 28.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -126.43 109.95 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.838 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.532 ' CE2' HD23 ' A' ' 100' ' ' LEU . 28.4 m-85 -96.77 110.48 22.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -76.68 93.27 3.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.749 ' H ' HD12 ' A' ' 67' ' ' ILE . 5.4 mp -48.14 111.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.164 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -75.18 164.71 26.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.3 m -137.81 136.45 37.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.6 p -89.03 176.27 7.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.93 78.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.039 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.45 -53.61 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 135.85 53.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -116.66 150.96 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.8 m -114.03 139.7 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 5.8 p90 -173.06 122.45 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.739 ' O ' HG23 ' A' ' 77' ' ' VAL . 32.7 m -105.51 76.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 1.7 t -175.31 176.7 1.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -128.12 4.65 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -95.73 -33.67 12.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m -155.49 -175.04 5.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 27.9 mtm-85 -132.11 170.74 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -137.98 160.13 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.4 p -79.78 -61.94 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.7 p -120.24 175.04 6.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 89' ' ' LEU . 10.7 tp -67.31 -49.41 64.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.64 -43.77 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.205 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -75.49 -34.75 60.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.78 HD23 ' C ' ' A' ' 89' ' ' LEU . 1.5 tt -58.81 -46.41 87.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.53 ' N ' HD23 ' A' ' 89' ' ' LEU . 38.4 t -77.56 -47.42 26.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 94' ' ' SER . 51.4 t60 -56.01 -67.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 91' ' ' HIS . 6.3 t-80 -36.61 -58.71 0.71 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -49.9 -37.49 31.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' HIS . 12.0 t -43.34 -29.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.4 m -84.11 -54.07 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.0 p -132.69 136.57 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.432 ' N ' HG22 ' A' ' 103' ' ' THR . . . -56.71 -44.43 81.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 30.9 t70 61.07 25.99 15.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.4 4.23 27.05 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.532 HD23 ' CE2' ' A' ' 65' ' ' TYR . 17.9 mt -90.07 142.51 27.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.988 HG12 HD21 ' A' ' 56' ' ' LEU . 4.8 p -33.82 -36.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.042 0.448 . . . . 0.0 111.202 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.691 HG22 HG13 ' A' ' 101' ' ' VAL . 13.5 t -173.76 149.64 1.6 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.151 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 97' ' ' ALA . 4.7 p -61.7 134.16 56.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.575 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 4.6 mt -77.36 88.87 3.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -110.91 -16.68 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.743 ' CD2' HD11 ' A' ' 36' ' ' ILE . 69.6 m-85 -127.43 84.38 63.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.69 0.757 . . . . 0.0 110.886 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.533 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.84 -177.42 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -89.19 143.64 31.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.677 0.751 . . . . 0.0 111.045 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 154.18 68.03 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.674 2.249 . . . . 0.0 112.468 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -76.27 113.8 14.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.9 t -81.99 -56.59 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -101.18 85.64 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -65.81 148.23 52.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.1 m -118.28 92.26 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -40.61 153.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 117' ' ' SER . 53.7 Cg_endo -69.82 -33.95 15.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.26 . . . . 0.0 112.276 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 116' ' ' PRO . 78.4 p -36.26 123.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.833 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.7 p -105.79 135.83 46.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.51 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 57.07 40.64 28.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.815 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -89.42 -51.33 5.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.09 130.0 2.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.569 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -122.66 93.98 4.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.932 0.396 . . . . 0.0 110.809 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -165.56 134.24 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.74 -174.29 44.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 p -86.84 141.98 33.98 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.677 0.751 . . . . 0.0 111.071 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -40.32 5.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.642 2.228 . . . . 0.0 112.295 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -93.03 152.0 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -108.33 103.74 12.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.4 p -51.35 96.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 15' ' ' LYS . 3.9 pp -101.81 -13.0 17.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -55.93 83.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 13' ' ' LEU . 13.8 mmtp -69.91 -36.16 75.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -73.53 158.38 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.9 m -83.89 -39.16 20.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -73.38 -27.94 61.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -75.68 111.72 11.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.496 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.2 m-70 -116.32 40.88 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 41.58 -157.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.524 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 93.9 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 20' ' ' HIS . 91.0 t -94.88 136.67 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' ARG . 47.6 t -66.68 136.12 55.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' SER . 16.7 ttt85 -36.71 -65.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.787 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.3 t -47.11 -50.01 20.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' TYR . . . -52.74 -52.94 54.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.089 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.11 -40.06 3.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.808 ' HG2' HG21 ' A' ' 62' ' ' VAL . 25.5 mt-10 -83.11 -21.99 33.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' ALA . 37.0 t80 -74.24 -54.25 8.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.85 -53.49 48.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.5 -36.43 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -60.31 -28.79 68.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.0 t -98.59 27.81 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.808 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.591 HD21 ' HG3' ' A' ' 109' ' ' PRO . 81.3 mt -141.82 161.23 38.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.796 HD12 ' H ' ' A' ' 38' ' ' GLY . 2.7 pp -49.2 162.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -80.56 50.7 1.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.796 ' H ' HD12 ' A' ' 36' ' ' ILE . . . -168.61 31.83 0.18 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.429 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -108.59 141.53 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.822 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 107' ' ' PRO . 4.6 p90 -121.27 155.66 34.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -148.86 157.86 43.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.625 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.3 t -127.27 108.13 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -103.77 178.58 4.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -132.14 121.37 23.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -56.28 135.92 53.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -83.54 165.77 18.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m 40.78 42.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.6 p -132.99 146.43 61.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.726 0.774 . . . . 0.0 110.783 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.8 87.58 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.236 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 43.63 55.91 5.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.46 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -111.59 123.34 50.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.493 ' HB2' HD12 ' A' ' 67' ' ' ILE . 7.0 mt -112.9 170.21 8.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.4 m -164.45 151.23 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.9 mt -114.38 126.97 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.076 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.1 m -119.98 113.05 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.797 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -120.69 144.39 48.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.544 ' N ' HD12 ' A' ' 56' ' ' LEU . 8.5 tpt180 -91.39 137.61 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 61' ' ' ARG . 23.2 t80 -156.15 147.65 22.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' TYR . 5.8 pt-20 35.82 41.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.87 42.83 99.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' TYR . 76.9 mtt180 -148.88 150.11 32.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.808 HG21 ' HG2' ' A' ' 29' ' ' GLU . 18.6 t -106.5 106.96 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.807 ' CE1' HG21 ' A' ' 101' ' ' VAL . 55.0 m-85 -85.85 155.41 20.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -127.5 144.55 51.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.56 ' OH ' HG12 ' A' ' 101' ' ' VAL . 58.0 m-85 -144.68 114.55 7.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -81.04 114.86 20.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.51 HD13 ' CD1' ' A' ' 86' ' ' LEU . 33.9 mt -68.44 109.62 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -71.85 -175.67 1.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.87 131.78 6.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 74' ' ' LYS . 9.2 t -134.6 -175.41 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 70' ' ' THR . . . -36.19 142.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 62.13 26.12 15.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.784 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 44.72 62.87 2.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.466 ' HB2' ' CG2' ' A' ' 70' ' ' THR . 38.3 mttm -99.11 122.07 41.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.5 m -94.37 137.01 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.784 ' HA ' HD12 ' A' ' 89' ' ' LEU . 12.0 p90 -174.49 121.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.606 ' O ' HG23 ' A' ' 77' ' ' VAL . 30.7 m -101.28 76.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -174.49 173.11 2.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -127.2 19.51 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.051 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -117.57 -29.24 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 78' ' ' THR . 1.7 t -153.01 171.36 18.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.544 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 94.1 mtm-85 -129.69 173.68 10.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -138.03 165.58 26.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.6 m -80.23 -60.46 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.1 p -131.22 -177.33 4.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.076 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.51 ' CD1' HD13 ' A' ' 67' ' ' ILE . 10.8 tp -64.38 -56.66 12.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.72 -42.23 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -75.48 -35.21 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.819 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 76' ' ' TYR . 7.0 tt -64.01 -48.49 76.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.46 ' O ' HD12 ' A' ' 104' ' ' LEU . 54.5 t -76.4 -29.12 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -70.97 -67.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -45.77 -51.03 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -46.61 -46.23 19.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -44.07 -42.7 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.3 m -71.24 -50.67 30.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.2 p -134.47 139.03 48.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.24 -63.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.5 t70 68.67 38.02 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 116.32 -32.89 5.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.12 158.59 10.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.807 HG21 ' CE1' ' A' ' 63' ' ' TYR . 4.3 p -56.38 -34.91 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.6 t -167.08 155.72 10.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -65.9 110.92 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.22 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 90' ' ' VAL . 24.9 mt -35.91 101.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -72.99 -71.07 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -130.37 134.47 26.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.668 0.747 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.49 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.83 -177.35 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.739 2.293 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -77.97 142.49 64.72 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.551 0.691 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.591 ' HG3' HD21 ' A' ' 35' ' ' LEU . 53.9 Cg_endo -69.72 148.64 65.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.752 2.301 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.06 167.13 19.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 27.6 p -147.39 167.19 24.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -94.78 159.44 15.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -109.0 91.2 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.858 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.7 t -77.11 148.04 36.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.796 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.65 88.25 0.96 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.414 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.9 101.65 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.635 2.223 . . . . 0.0 112.348 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.3 m -70.94 -46.46 62.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.959 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.7 t -132.2 159.04 40.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.3 m -97.37 -47.25 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.4 t -35.61 142.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.79 127.65 0.95 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p -171.8 129.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -162.35 158.62 24.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.21 173.9 39.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.526 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.8 p -138.83 143.71 38.64 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.573 0.701 . . . . 0.0 111.116 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -13.99 35.24 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.0 114.19 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -72.08 121.26 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.0 m -146.38 176.73 9.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -113.3 80.17 1.33 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -96.5 41.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -40.71 -57.44 1.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.457 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 23.1 m-70 -69.4 142.91 53.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.3 m -64.87 -46.76 80.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.788 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.606 ' HA ' ' HB3' ' A' ' 108' ' ' ALA . 6.2 p-90 -63.36 -41.0 98.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.05 102.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -89.9 -42.05 11.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.03 -112.82 4.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.401 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 89.78 0.52 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.735 2.29 . . . . 0.0 112.378 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 43' ' ' ARG . 81.9 t -135.35 121.52 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -72.86 174.38 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 26' ' ' SER . 39.8 ptt180 -69.01 -49.06 61.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 50.3 m -68.09 -38.68 82.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.76 -52.01 65.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . -54.96 -59.92 4.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -51.68 -44.65 63.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -59.25 -41.86 89.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -53.54 52.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.992 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' A' ' 35' ' ' LEU . 36.1 mt -45.83 -48.01 15.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.943 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 t -49.34 -43.73 43.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.5 t -65.05 -48.16 74.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 32' ' ' LEU . 32.5 mt -53.96 176.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.481 HD11 ' HD2' ' A' ' 106' ' ' TYR . 14.7 pt -68.23 178.42 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -83.34 39.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.55 73.28 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -146.97 150.89 36.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.939 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 104' ' ' LEU . 1.7 p90 -125.99 151.62 46.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 42' ' ' VAL . 1.6 pp -138.42 164.05 30.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.622 HG22 HG12 ' A' ' 54' ' ' ILE . 98.8 t -131.89 112.68 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.465 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . 31.4 ptt85 -109.71 177.07 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -115.52 130.87 57.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 48' ' ' SER . 59.3 m -70.88 124.24 23.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.79 -56.34 6.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 m -64.57 -34.91 79.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 45' ' ' SER . 24.1 m -97.51 102.94 14.19 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.653 0.739 . . . . 0.0 110.838 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 150.44 68.71 Favored 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.758 2.305 . . . . 0.0 112.318 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 52.69 21.77 10.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.465 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -120.09 137.56 54.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.35 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.536 HD13 HD22 ' A' ' 86' ' ' LEU . 21.1 mt -117.55 167.38 11.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.4 m -146.32 139.74 25.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.622 HG12 HG22 ' A' ' 42' ' ' VAL . 70.6 mt -108.2 88.67 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -84.39 104.28 14.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.019 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -114.76 124.73 52.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.423 ' CZ ' ' HA2' ' A' ' 60' ' ' GLY . 10.3 tpt85 -76.01 127.64 33.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.604 ' CD2' HG21 ' A' ' 102' ' ' THR . 42.5 t80 -164.23 136.26 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.501 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 4.8 mm-40 62.18 29.52 17.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.423 ' HA2' ' CZ ' ' A' ' 57' ' ' ARG . . . 87.32 -75.34 2.16 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -57.78 144.29 38.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.16 125.61 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.871 ' CE2' HG21 ' A' ' 101' ' ' VAL . 26.5 m-85 -101.24 144.41 30.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 65' ' ' TYR . 1.6 p80 -124.83 174.99 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 64' ' ' HIS . 95.4 m-85 -160.84 105.4 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -76.65 94.32 3.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.658 ' H ' HD12 ' A' ' 67' ' ' ILE . 3.6 mp -44.02 140.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -97.6 -177.46 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.4 m -157.54 138.99 13.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.7 p -100.44 174.98 5.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.206 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.39 -50.72 9.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.3 -59.53 3.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.2 44.31 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -99.67 122.1 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 34.3 m -89.98 136.42 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.073 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.507 ' HA ' HD12 ' A' ' 89' ' ' LEU . 9.9 p90 -172.38 120.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 77' ' ' VAL . 35.6 m -98.19 76.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 t -175.03 170.78 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.15 9.61 9.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.186 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -101.84 -43.64 5.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -142.36 -175.08 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.768 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.411 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 78.3 mtm180 -132.26 178.16 7.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.773 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -145.89 151.7 38.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.61 ' OG ' HG23 ' A' ' 85' ' ' THR . 1.1 t -63.45 -64.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.803 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.61 HG23 ' OG ' ' A' ' 84' ' ' SER . 14.4 p -135.08 179.07 6.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.536 HD22 HD13 ' A' ' 52' ' ' LEU . 11.6 tp -54.28 -56.54 17.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -34.17 -47.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -78.27 -38.6 42.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 89' ' ' LEU . 6.8 tt -53.63 -38.47 64.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.623 HG13 ' CD1' ' A' ' 104' ' ' LEU . 96.3 t -89.43 -59.95 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -46.92 -49.53 20.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -61.14 -56.94 14.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -51.62 -31.69 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 t -53.76 -16.29 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 m -92.98 -37.48 12.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.563 HG22 ' H ' ' A' ' 98' ' ' ASP . 14.7 p -139.66 143.75 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -79.77 12.73 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.563 ' H ' HG22 ' A' ' 96' ' ' VAL . 3.9 t0 -37.46 93.15 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 80.8 39.7 13.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 97' ' ' ALA . 28.2 mt -149.86 163.74 37.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.858 0.361 . . . . 0.0 110.982 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 1.019 ' CG1' HD21 ' A' ' 56' ' ' LEU . 5.8 p -64.69 -40.49 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.604 HG21 ' CD2' ' A' ' 58' ' ' TYR . 4.9 t -165.69 155.58 12.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 105' ' ' HIS . 5.8 p -61.03 109.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.094 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.623 ' CD1' HG13 ' A' ' 90' ' ' VAL . 49.4 mt -38.39 92.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 103' ' ' THR . 15.4 m170 -59.58 -69.6 0.2 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.481 ' HD2' HD11 ' A' ' 36' ' ' ILE . 29.3 m-85 -132.52 135.08 25.61 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.71 0.767 . . . . 0.0 110.903 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.439 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.72 -178.95 2.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.755 2.303 . . . . 0.0 112.347 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.606 ' HB3' ' HA ' ' A' ' 18' ' ' TRP . . . -78.45 146.96 71.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 111.066 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 161.89 44.2 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.283 . . . . 0.0 112.287 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -40.47 161.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.9 t -120.62 -51.98 2.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -120.0 126.72 51.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -122.07 83.23 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.2 p -171.81 123.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -40.42 123.44 2.25 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 159.38 53.62 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.662 2.242 . . . . 0.0 112.384 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.2 m -150.2 131.3 14.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.1 p -144.36 156.14 44.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.487 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -165.03 150.96 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 m -52.55 -56.24 16.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.93 138.51 10.29 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.8 p -155.58 162.17 40.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.946 0.403 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -174.99 146.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.12 -128.15 2.98 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.441 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -166.14 144.29 4.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.687 . . . . 0.0 111.172 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.65 -24.46 30.16 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.756 2.304 . . . . 0.0 112.356 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.9 m -99.33 166.23 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.94 121.51 26.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.97 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.0 m -140.45 129.15 23.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.655 HD12 ' H ' ' A' ' 15' ' ' LYS . 3.3 pp -69.33 -41.78 76.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.585 ' N ' HD12 ' A' ' 13' ' ' LEU . 8.1 tt0 33.24 38.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.655 ' H ' HD12 ' A' ' 13' ' ' LEU . 25.3 mmtt -108.96 33.87 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -94.24 163.47 13.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.705 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 5.1 m -86.61 -37.89 17.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.466 ' CA ' ' HB2' ' A' ' 107' ' ' PRO . 1.1 p-90 -78.88 -38.87 36.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -63.14 140.53 58.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -121.77 -33.36 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.28 -147.46 18.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 85.52 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.632 2.221 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.27 149.24 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 27' ' ' ALA . 13.1 t -102.37 143.37 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -38.76 -46.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.814 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 t -65.44 -40.61 93.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.789 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 24' ' ' SER . . . -68.43 -61.82 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.435 ' HB3' HH11 ' A' ' 43' ' ' ARG . . . -40.61 -54.99 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -53.86 -41.82 67.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' SER . 2.5 t80 -64.93 -60.35 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.446 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -41.73 -45.76 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.985 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.597 ' CD1' HD23 ' A' ' 41' ' ' LEU . 20.5 mt -77.46 -25.62 50.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.922 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' TYR . 37.2 t -73.47 1.91 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.6 m -121.11 27.22 8.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.731 HD21 ' HG3' ' A' ' 109' ' ' PRO . 20.7 mt -136.41 -177.35 4.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.647 HD11 ' CD2' ' A' ' 106' ' ' TYR . 24.2 pt -69.42 -178.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -93.29 39.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.55 52.77 0.42 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.393 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.4 m -135.99 158.32 44.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 104' ' ' LEU . 7.0 p90 -141.11 161.35 38.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -149.69 156.27 41.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.635 ' N ' HD12 ' A' ' 41' ' ' LEU . 92.4 t -122.89 102.58 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.435 HH11 ' HB3' ' A' ' 28' ' ' ALA . 23.8 ptt180 -96.97 172.14 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.548 ' HG3' HD23 ' A' ' 52' ' ' LEU . 33.2 tt0 -111.28 122.87 48.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.8 t -39.2 142.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -91.4 -57.94 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.7 t -54.59 -55.64 27.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.799 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 t -94.34 115.96 65.85 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.689 0.757 . . . . 0.0 110.829 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 125.51 12.25 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.676 2.25 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.18 -38.73 3.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -55.73 156.49 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.852 ' HB2' HD12 ' A' ' 67' ' ' ILE . 8.3 mt -137.51 168.7 19.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 m -162.48 146.14 11.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.426 HD11 HD21 ' A' ' 89' ' ' LEU . 20.0 mt -102.28 99.08 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.9 m -91.59 102.45 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.694 HD21 ' HB ' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -104.82 138.42 41.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -96.51 104.45 16.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.674 ' HB2' HD11 ' A' ' 56' ' ' LEU . 89.8 t80 -116.96 157.01 26.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' TYR . 22.8 mt-10 -38.08 95.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.826 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 140.38 -99.56 0.25 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.541 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -131.69 167.67 19.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.2 t -74.33 123.11 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.654 ' CD2' HG21 ' A' ' 101' ' ' VAL . 12.5 m-85 -109.29 121.51 45.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -101.14 142.29 32.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.893 ' OH ' HG23 ' A' ' 101' ' ' VAL . 89.5 m-85 -120.17 89.48 3.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -47.43 141.68 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.852 HD12 ' HB2' ' A' ' 52' ' ' LEU . 64.7 mt -102.0 124.02 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -86.03 -174.98 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.5 m -155.99 138.53 14.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.7 p -89.46 175.0 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.67 -51.73 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.039 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.97 -69.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.826 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 163.98 45.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.535 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -101.35 124.49 47.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.382 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.2 m -97.74 146.24 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 13.6 p90 -174.74 120.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 77' ' ' VAL . 32.8 m -96.5 76.34 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -175.12 169.46 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -123.67 27.31 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -126.92 -41.15 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -135.98 -175.71 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.579 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 43.3 mtm-85 -139.87 176.36 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -141.73 173.47 11.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.1 p -91.45 -63.08 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.8 p -122.73 172.59 8.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.43 -47.8 82.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 91' ' ' HIS . . . -44.76 -43.2 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -74.42 -35.16 63.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.79 HD23 ' C ' ' A' ' 89' ' ' LEU . 1.6 tt -59.74 -49.23 78.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.577 ' N ' HD23 ' A' ' 89' ' ' LEU . 47.4 t -79.69 -33.69 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.4 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 45.7 t60 -65.48 -59.06 4.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -51.53 -51.19 57.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.47 ' CD2' HD11 ' A' ' 100' ' ' LEU . 12.8 m-70 -52.26 -33.29 41.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 t -52.24 -28.27 18.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.2 m -83.55 -47.01 11.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.059 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 98' ' ' ASP . 7.8 p -141.4 144.22 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -51.55 -47.17 63.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.42 ' HB3' ' CE1' ' A' ' 93' ' ' HIS . 31.4 t70 52.6 33.56 13.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.814 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.27 41.52 2.05 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 93' ' ' HIS . 69.4 mt -140.59 149.67 42.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 0.0 110.897 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.893 HG23 ' OH ' ' A' ' 65' ' ' TYR . 44.4 t -36.69 -45.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.9 t -174.69 143.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 p -43.18 158.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 10.3 mt -91.23 124.15 35.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -106.12 -66.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.647 ' CD2' HD11 ' A' ' 36' ' ' ILE . 15.3 m-85 -109.06 108.58 60.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.641 0.734 . . . . 0.0 110.964 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.501 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.3 Cg_endo -69.82 -38.59 7.45 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.687 2.258 . . . . 0.0 112.407 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -175.16 139.35 0.6 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.094 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.731 ' HG3' HD21 ' A' ' 35' ' ' LEU . 54.6 Cg_endo -69.68 -173.85 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.371 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -119.25 70.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 27.2 p -82.28 -42.32 18.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -138.81 162.41 34.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -116.67 127.48 54.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.4 t -54.29 128.8 32.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -147.07 -174.4 19.1 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 124.14 10.8 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.629 2.219 . . . . 0.0 112.391 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 118' ' ' SER . 25.7 p -125.33 41.79 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 117' ' ' SER . 2.3 m -36.34 123.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.458 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.47 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.412 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -39.42 130.93 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.864 0.364 . . . . 0.0 110.779 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -151.33 157.75 42.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.3 75.14 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.443 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -98.57 101.43 12.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.812 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 m -79.88 -45.78 18.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.0 -108.83 2.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.1 p -122.25 148.75 53.0 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 -22.24 31.86 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.686 2.258 . . . . 0.0 112.315 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.13 -42.7 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -165.61 155.44 12.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.804 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -121.57 127.89 51.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 91.3 mt -73.46 -49.54 26.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 15' ' ' LYS . 7.4 tt0 -41.81 -42.75 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 14' ' ' GLU . 32.2 mttm -34.4 -37.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 14' ' ' GLU . 29.7 m170 -45.32 164.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -97.72 -25.06 15.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.789 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.48 ' CD2' HG11 ' A' ' 90' ' ' VAL . 2.2 p-90 -89.25 -29.96 18.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -78.4 110.46 13.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.952 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.54 ' CE1' ' HG ' ' A' ' 111' ' ' CYS . 4.1 m-70 -103.78 -44.25 5.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.812 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.56 -108.08 3.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 95.53 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.383 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.406 ' O ' ' CZ ' ' A' ' 43' ' ' ARG . 59.8 t -130.24 123.68 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.7 m -66.75 143.82 56.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -43.42 -45.58 6.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.5 m -69.0 -61.28 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.64 -41.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.34 -62.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.075 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.817 ' HG2' HG21 ' A' ' 62' ' ' VAL . 32.4 mt-10 -57.08 -49.88 74.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -51.78 -61.29 2.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.433 ' CD2' HD11 ' A' ' 35' ' ' LEU . 2.4 tt -41.22 -43.54 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.453 HD21 HD23 ' A' ' 41' ' ' LEU . 69.9 mt -69.29 -58.67 3.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.5 p -42.24 -49.64 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.7 m -62.53 -49.77 74.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.433 HD11 ' CD2' ' A' ' 31' ' ' LEU . 37.7 mt -55.25 171.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.619 HD11 ' HD2' ' A' ' 106' ' ' TYR . 7.9 pt -56.07 179.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -86.33 43.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.64 73.07 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.6 m -145.19 142.14 29.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 107' ' ' PRO . 4.0 p90 -121.76 157.94 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.61 ' CB ' ' HB2' ' A' ' 108' ' ' ALA . 0.7 OUTLIER -152.11 156.17 39.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.544 ' N ' HD12 ' A' ' 41' ' ' LEU . 71.5 t -124.0 122.13 63.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' CZ ' ' O ' ' A' ' 23' ' ' VAL . 6.4 ptm180 -124.34 179.42 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -116.89 152.69 33.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 m -100.96 124.65 46.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -63.72 -46.69 84.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.5 t -34.09 -50.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -122.9 130.06 24.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.703 0.763 . . . . 0.0 110.804 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 8.7 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.729 2.286 . . . . 0.0 112.323 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.0 40.82 0.65 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.435 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -128.45 89.95 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.357 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.774 ' HB3' HD12 ' A' ' 67' ' ' ILE . 4.4 mm? -83.32 170.34 14.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.2 m -163.21 146.21 10.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.917 HD11 HD21 ' A' ' 89' ' ' LEU . 19.3 mt -105.03 101.56 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 m -94.23 96.74 9.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.847 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -110.8 130.66 55.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -79.78 134.84 36.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.787 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.481 ' CE2' ' HG3' ' A' ' 59' ' ' GLU . 74.8 t80 -157.95 123.64 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.481 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 8.1 mt-10 62.9 35.11 13.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.3 39.65 87.72 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.431 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -152.71 147.66 26.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.817 HG21 ' HG2' ' A' ' 29' ' ' GLU . 15.2 t -100.54 114.55 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.826 ' CE2' HG21 ' A' ' 101' ' ' VAL . 55.3 m-85 -101.53 120.86 40.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -102.87 140.68 36.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.805 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.515 ' OH ' HG12 ' A' ' 101' ' ' VAL . 80.4 m-85 -127.77 100.03 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -55.21 114.66 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 52' ' ' LEU . 17.5 mt -69.49 116.36 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -83.8 178.86 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.2 m -152.67 135.23 15.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 p -93.0 -174.9 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -42.99 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -47.91 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.77 30.92 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.56 135.3 35.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.479 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 21.0 m -106.63 134.53 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.529 ' HA ' HD12 ' A' ' 89' ' ' LEU . 11.0 p90 -163.54 125.19 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.925 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.752 ' O ' HG23 ' A' ' 77' ' ' VAL . 29.1 m -105.01 75.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 81' ' ' SER . 1.3 t -175.21 169.32 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -120.06 22.34 11.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -114.78 -33.56 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 78' ' ' THR . 1.6 t -159.34 173.32 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.441 ' HG2' ' CD1' ' A' ' 76' ' ' TYR . 99.2 mtt180 -121.02 175.1 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.438 ' HE2' ' CE1' ' A' ' 93' ' ' HIS . 61.9 m-85 -139.64 130.04 25.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.5 m -53.22 -54.5 35.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.3 p -126.04 171.98 10.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.197 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.9 tp -64.69 -38.84 92.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.55 -37.39 57.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.062 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 33.2 mt-10 -79.82 -21.7 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.917 HD21 HD11 ' A' ' 54' ' ' ILE . 1.2 tt -72.22 -40.81 67.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.597 HG13 HD13 ' A' ' 104' ' ' LEU . 97.9 t -90.36 -35.29 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -70.45 -35.89 73.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 44.4 t-80 -77.97 -40.71 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.438 ' CE1' ' HE2' ' A' ' 83' ' ' PHE . 29.1 m170 -67.93 -26.32 65.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.2 p -59.9 -25.11 64.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 53.0 m -86.02 -50.82 6.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.512 ' C ' HG22 ' A' ' 103' ' ' THR . 11.7 p -134.21 145.13 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.35 -56.22 15.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 t70 60.42 44.05 12.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 109.97 -28.99 9.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.503 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 100' ' ' LEU . 15.6 mt -63.83 158.37 22.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.847 ' CG1' HD21 ' A' ' 56' ' ' LEU . 7.6 p -54.12 -37.28 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.165 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.5 t -173.27 149.57 1.78 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.084 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.512 HG22 ' C ' ' A' ' 96' ' ' VAL . 4.4 p -60.52 153.92 22.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.597 HD13 HG13 ' A' ' 90' ' ' VAL . 6.7 mt -89.66 135.69 33.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.424 ' ND1' ' N ' ' A' ' 105' ' ' HIS . 1.1 p-80 -130.36 -62.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.619 ' HD2' HD11 ' A' ' 36' ' ' ILE . 1.4 m-30 -110.83 99.81 43.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.711 0.767 . . . . 0.0 110.929 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.74 -178.38 2.31 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.61 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . . . -68.76 143.46 94.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 111.108 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 148.49 65.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.268 . . . . 0.0 112.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -67.71 104.37 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.966 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.54 ' HG ' ' CE1' ' A' ' 20' ' ' HIS . 32.0 p -79.75 45.21 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -135.02 121.12 19.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt 59.26 41.32 20.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.6 t -63.98 -51.05 66.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.816 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 117.56 145.13 7.92 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.431 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.94 36.83 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.376 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.0 p -152.9 117.0 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.5 m -46.16 122.32 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.427 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -169.79 135.45 1.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 p -160.65 166.13 29.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.25 119.3 2.56 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.432 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 t -160.04 157.63 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.849 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 m -126.74 170.65 11.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.82 -56.54 0.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.526 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -41.3 144.0 0.75 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.635 0.731 . . . . 0.0 111.054 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.65 -29.4 24.47 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.308 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.7 m -138.33 168.38 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -113.68 44.43 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.5 m -58.79 -49.2 78.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.93 -62.33 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -82.79 70.85 9.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -57.94 -46.14 85.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -65.77 160.32 23.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.549 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 36.8 m -89.59 -43.92 10.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.832 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.5 p-90 -61.98 -41.53 98.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -64.91 126.1 26.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -115.7 -41.48 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 22' ' ' PRO . . . 111.9 -127.46 8.12 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.513 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.41 ' HD2' ' HA3' ' A' ' 21' ' ' GLY . 53.6 Cg_endo -69.77 104.51 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.661 2.241 . . . . 0.0 112.299 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.6 t -139.75 137.08 39.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.7 m -73.18 169.38 17.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.783 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.6 ptt-85 -72.06 -40.01 68.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.9 p -76.24 -38.79 55.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.41 -46.51 82.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.613 ' O ' HD12 ' A' ' 32' ' ' LEU . . . -58.19 -22.9 53.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HA ' HG21 ' A' ' 62' ' ' VAL . 58.7 mt-10 -83.38 -43.06 16.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -76.36 -57.45 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.484 HD23 ' HG ' ' A' ' 35' ' ' LEU . 2.3 tt -41.11 -58.73 1.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 28' ' ' ALA . 82.0 mt -45.37 -50.18 12.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 p -66.13 -30.43 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -71.89 -36.18 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.546 HD22 ' CG ' ' A' ' 109' ' ' PRO . 64.8 mt -59.95 -75.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.627 ' CD1' ' CD2' ' A' ' 106' ' ' TYR . 6.6 pt -137.19 -175.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.13 -46.18 61.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.966 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.73 95.89 0.15 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.571 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.37 160.39 17.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.909 0.385 . . . . 0.0 110.779 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.701 ' CG ' HD22 ' A' ' 104' ' ' LEU . 3.1 p90 -121.55 134.25 55.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.648 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -134.46 151.37 51.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.576 ' N ' HD12 ' A' ' 41' ' ' LEU . 88.6 t -111.31 108.37 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -92.84 173.43 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -129.06 113.83 15.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.4 p -48.08 145.41 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.65 -75.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 t -79.3 62.97 3.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -168.45 163.13 8.52 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.658 0.742 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -162.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.688 2.259 . . . . 0.0 112.308 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.64 65.73 0.81 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -107.09 97.53 7.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.775 ' HB3' HD12 ' A' ' 67' ' ' ILE . 16.9 mt -85.04 157.34 20.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -152.78 151.54 30.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.623 HD11 HD21 ' A' ' 89' ' ' LEU . 37.9 mt -111.86 99.42 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.229 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.0 m -90.98 104.06 16.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.075 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -116.01 137.0 52.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.62 115.35 27.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.5 ' CG ' HG21 ' A' ' 102' ' ' THR . 34.7 t80 -147.22 140.8 25.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 59.56 45.35 13.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.73 38.18 71.77 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.0 mtm-85 -155.19 150.95 27.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.457 ' O ' HG12 ' A' ' 62' ' ' VAL . 21.8 t -107.94 96.98 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 1.123 ' CE2' HG21 ' A' ' 101' ' ' VAL . 53.5 m-85 -79.86 162.88 24.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.508 ' O ' ' CG ' ' A' ' 65' ' ' TYR . 1.2 p80 -133.33 170.25 15.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.76 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.619 ' OH ' HG12 ' A' ' 101' ' ' VAL . 70.1 m-85 -160.78 110.16 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -72.96 114.15 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.833 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.775 HD12 ' HB3' ' A' ' 52' ' ' LEU . 58.0 mt -71.71 120.37 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -82.64 172.04 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.9 m -149.9 136.12 18.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.6 p -93.5 176.71 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.186 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.13 -55.16 8.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -63.95 -60.06 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 146.72 43.75 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.456 ' CD ' ' HA ' ' A' ' 84' ' ' SER . 34.0 mmtm -97.04 122.58 40.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.7 133.79 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 13.1 p90 -168.68 119.81 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 77' ' ' VAL . 35.3 m -98.88 76.5 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -174.99 171.89 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.45 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -125.45 28.37 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -131.12 -34.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.973 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.5 m -141.11 176.71 8.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.567 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 40.2 mtm-85 -138.94 175.0 9.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -141.17 160.03 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.456 ' HA ' ' CD ' ' A' ' 74' ' ' LYS . 29.6 m -80.33 -63.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.4 p -120.62 178.85 4.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.137 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.409 ' CD1' HD13 ' A' ' 67' ' ' ILE . 13.5 tp -71.93 -43.22 65.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.79 -24.43 2.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -92.24 -33.52 14.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.623 HD21 HD11 ' A' ' 54' ' ' ILE . 4.2 tt -62.27 -40.02 94.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.734 HG13 ' CD1' ' A' ' 104' ' ' LEU . 72.9 t -86.96 -37.24 11.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -66.94 -33.12 74.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -79.47 -57.75 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.514 ' CG ' ' CD1' ' A' ' 100' ' ' LEU . 22.5 m-70 -48.96 -31.15 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.3 p -54.28 -35.83 62.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.6 m -76.05 -54.03 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.531 ' C ' HG22 ' A' ' 103' ' ' THR . 7.7 p -131.77 140.78 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.532 ' N ' HG22 ' A' ' 103' ' ' THR . . . -48.28 -54.05 15.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.4 t0 56.31 32.49 20.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 105.25 31.99 4.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.514 ' CD1' ' CG ' ' A' ' 93' ' ' HIS . 41.6 mt -129.45 142.72 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 1.123 HG21 ' CE2' ' A' ' 63' ' ' TYR . 4.9 p -35.15 -41.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.5 HG21 ' CG ' ' A' ' 58' ' ' TYR . 14.7 t -173.99 142.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.532 HG22 ' N ' ' A' ' 97' ' ' ALA . 41.0 p -49.79 121.89 5.83 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.216 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.734 ' CD1' HG13 ' A' ' 90' ' ' VAL . 56.7 mt -42.57 111.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -75.25 -73.73 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.627 ' CD2' ' CD1' ' A' ' 36' ' ' ILE . 54.9 m-85 -123.77 120.98 26.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.642 0.734 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.527 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.78 -50.36 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -175.17 137.61 0.56 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.635 0.731 . . . . 0.0 111.051 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.546 ' CG ' HD22 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.84 171.09 15.19 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.688 2.259 . . . . 0.0 112.297 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -94.3 48.48 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 81.4 m -98.06 93.82 6.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -128.17 118.67 23.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 110.83 9.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.3 m -67.61 138.6 56.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.794 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -137.3 68.96 0.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 0.31 5.74 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.753 2.302 . . . . 0.0 112.361 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.9 m -95.07 54.95 1.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.0 m -154.22 119.95 5.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.455 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -79.37 128.77 33.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.798 0.332 . . . . 0.0 110.832 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -110.15 179.5 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.91 44.2 7.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -56.36 152.42 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.821 0.343 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -154.77 148.52 25.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.73 -174.11 19.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.2 p -71.57 142.88 86.8 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.504 0.669 . . . . 0.0 111.184 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.63 -34.7 14.46 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.671 2.248 . . . . 0.0 112.395 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.3 m -113.15 136.5 49.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -112.72 142.06 45.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.9 m -109.4 -42.2 4.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.441 ' H ' HD12 ' A' ' 13' ' ' LEU . 5.4 mp -51.99 -52.15 52.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -115.73 89.0 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -86.99 -51.75 5.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 69.1 m-70 -47.92 159.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.1 m -85.4 -41.88 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.8 p-90 -63.11 -46.26 88.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -49.3 119.41 3.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.969 0.414 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -101.29 -43.12 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.831 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.75 -148.67 18.64 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.433 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 100.7 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.395 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -132.41 135.61 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.8 p -86.6 162.01 18.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.6 mtm180 -48.18 -62.04 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.6 m -51.06 -64.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.3 -56.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.96 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.61 -59.31 3.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.061 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -45.5 -47.7 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 31' ' ' LEU . 8.0 t80 -63.55 -64.29 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.457 ' N ' ' CD1' ' A' ' 30' ' ' TYR . 12.4 mt -41.71 -53.54 3.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.896 HD21 HD23 ' A' ' 41' ' ' LEU . 15.2 mt -60.73 -36.7 79.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.8 t -52.73 -50.5 63.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.8 m -68.4 -45.29 73.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.699 HD21 ' HG3' ' A' ' 109' ' ' PRO . 15.6 mt -52.81 170.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.454 HD11 ' HD2' ' A' ' 106' ' ' TYR . 19.3 pt -64.44 176.96 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' CG ' ' N ' ' A' ' 38' ' ' GLY . 0.9 OUTLIER -75.31 -48.61 22.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.445 ' N ' ' CG ' ' A' ' 37' ' ' ASN . . . -83.03 58.13 5.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.6 p -126.47 134.14 51.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.756 ' CG ' HD22 ' A' ' 104' ' ' LEU . 3.1 p90 -130.88 134.16 46.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.896 HD23 HD21 ' A' ' 32' ' ' LEU . 2.3 pp -131.02 155.84 46.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.423 HG22 HG12 ' A' ' 54' ' ' ILE . 59.4 t -115.19 102.62 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.7 ptt85 -97.69 176.9 5.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -115.46 143.5 45.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 m -74.11 151.69 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.9 -32.67 13.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.1 t -44.31 -57.67 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.794 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.0 m -138.63 143.98 40.25 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.7 0.762 . . . . 0.0 110.781 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 150.13 67.64 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.3 -46.61 2.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -57.7 145.34 34.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.984 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' C ' HD13 ' A' ' 67' ' ' ILE . 9.6 mt -135.25 165.73 24.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m -151.65 160.15 43.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.423 HG12 HG22 ' A' ' 42' ' ' VAL . 87.9 mt -119.09 106.88 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.6 m -108.31 119.52 39.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.8 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.048 HD21 HG12 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -131.3 138.79 49.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.456 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.8 mmt180 -89.29 141.35 28.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -170.19 119.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.98 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 74.92 27.12 1.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.93 38.41 64.72 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.401 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -146.79 152.55 38.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.82 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.94 108.44 24.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.714 ' CE2' HG21 ' A' ' 101' ' ' VAL . 32.1 m-85 -102.79 117.6 34.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -107.14 141.3 38.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.413 ' CE1' ' HB3' ' A' ' 63' ' ' TYR . 2.3 m-85 -135.48 106.16 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.584 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -65.45 169.78 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.807 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.456 HD13 ' C ' ' A' ' 52' ' ' LEU . 4.5 mp -108.24 125.03 64.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.462 ' OD1' ' NE ' ' A' ' 66' ' ' ARG . 81.4 m-20 -90.67 132.42 35.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.6 m -108.67 140.52 41.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' ALA . 62.2 p -98.65 165.37 11.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' THR . . . -34.12 -66.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.138 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.07 -60.61 3.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.38 70.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' CD ' ' HA ' ' A' ' 84' ' ' SER . 30.2 mmtm -122.39 122.47 39.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.315 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.0 m -91.11 133.75 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.64 ' HA ' HD12 ' A' ' 89' ' ' LEU . 30.5 p90 -168.69 131.11 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.941 HG13 HD11 ' A' ' 89' ' ' LEU . 28.5 m -107.17 74.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 81' ' ' SER . 1.4 t -177.53 133.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.78 4.0 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -92.06 -47.89 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.446 ' O ' HG23 ' A' ' 78' ' ' THR . 9.8 m -140.33 -175.02 4.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.532 ' HG2' ' CZ ' ' A' ' 76' ' ' TYR . 77.6 mtm180 -132.72 173.39 11.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.832 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 89' ' ' LEU . 56.3 m-85 -137.07 -178.16 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.423 ' HA ' ' CD ' ' A' ' 74' ' ' LYS . 19.4 m -104.19 -52.43 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.2 p -123.65 179.94 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.1 tp -74.25 -34.44 63.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.92 79.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -75.11 -42.14 57.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.941 HD11 HG13 ' A' ' 77' ' ' VAL . 1.3 tt -53.22 -51.21 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.596 ' N ' HD23 ' A' ' 89' ' ' LEU . 57.7 t -74.42 -50.94 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.172 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' A' ' 94' ' ' SER . 79.0 t60 -53.06 -63.09 1.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -38.46 -67.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.557 ' CG ' HD22 ' A' ' 100' ' ' LEU . 22.4 m-70 -41.55 -42.8 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 8.2 t -34.8 -41.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 73.8 m -73.3 -63.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.442 ' C ' HG22 ' A' ' 103' ' ' THR . 11.6 p -118.89 141.37 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.158 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.452 ' N ' HG22 ' A' ' 103' ' ' THR . . . -60.56 -48.89 79.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.3 t70 46.25 29.42 0.83 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.22 -56.57 0.68 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.546 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.557 HD22 ' CG ' ' A' ' 93' ' ' HIS . 4.4 mp -41.63 151.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 1.048 HG12 HD21 ' A' ' 56' ' ' LEU . 12.5 p -50.9 -31.6 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.6 t -174.48 135.61 0.43 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 97' ' ' ALA . 16.0 p -38.85 110.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.204 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.756 HD22 ' CG ' ' A' ' 40' ' ' PHE . 84.1 mt -41.0 106.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -79.42 -73.31 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.454 ' HD2' HD11 ' A' ' 36' ' ' ILE . 30.1 m-85 -118.05 124.35 28.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.701 0.762 . . . . 0.0 110.975 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.486 ' HB2' ' N ' ' A' ' 18' ' ' TRP . 52.5 Cg_endo -69.83 -49.06 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -162.81 148.02 9.67 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 111.105 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.699 ' HG3' HD21 ' A' ' 35' ' ' LEU . 53.7 Cg_endo -69.85 166.49 27.54 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 0.0 112.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -82.18 89.15 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 86.6 m -83.21 -44.17 15.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -80.03 77.4 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -133.8 34.49 3.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.0 t -80.91 83.66 6.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 42.61 -157.84 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.572 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -20.99 33.93 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.754 2.303 . . . . 0.0 112.401 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.2 t -93.27 77.63 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.3 p -61.5 164.02 6.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.226 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 p -126.42 165.04 19.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.351 . . . . 0.0 110.92 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -128.23 146.58 50.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.77 -157.61 11.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.568 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -54.22 170.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -38.79 158.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.835 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.0 107.47 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.541 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.777 HG21 ' HB2' ' A' ' 12' ' ' SER . 4.4 t -102.15 141.04 21.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.691 0.758 . . . . 0.0 111.044 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -33.94 15.61 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.763 2.309 . . . . 0.0 112.286 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.558 HG22 ' N ' ' A' ' 11' ' ' ASN . 14.7 p -123.24 163.59 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.154 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.558 ' N ' HG22 ' A' ' 10' ' ' VAL . 34.9 m120 -40.02 140.21 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.777 ' HB2' HG21 ' A' ' 8' ' ' THR . 3.8 m -150.12 -178.25 6.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 10.7 mt -105.64 -31.0 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.61 -2.11 8.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.882 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 14' ' ' GLU . 54.4 mttt -34.23 -37.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 5.2 m-70 -34.6 123.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.6 m -66.95 -40.31 87.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 4.6 p-90 -66.55 -34.26 77.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.414 ' CB ' ' HB2' ' A' ' 16' ' ' HIS . 69.2 t80 -67.62 74.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.54 ' CE1' ' O ' ' A' ' 109' ' ' PRO . 15.8 m80 -82.07 41.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 38.4 -153.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.51 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 136.01 32.02 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.724 2.283 . . . . 0.0 112.386 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.481 HG12 ' HB3' ' A' ' 27' ' ' ALA . 52.5 t -142.43 146.42 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.1 m -75.15 154.51 37.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -48.84 -67.57 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -52.58 -39.54 61.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.481 ' HB3' HG12 ' A' ' 23' ' ' VAL . . . -54.2 -64.93 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.626 ' HB2' ' HD2' ' A' ' 43' ' ' ARG . . . -37.24 -59.07 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -47.99 -44.02 30.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -66.52 -56.54 10.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mp -39.81 -29.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' A' ' 57' ' ' ARG . 11.8 mt -89.03 -54.45 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.974 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m 38.05 37.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 77.2 p 52.7 51.69 15.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.3 mt -42.59 -68.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 106' ' ' TYR . 6.6 pt -127.58 -177.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' ILE . 4.6 p-10 -34.28 -35.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ILE . . . -171.82 107.46 0.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.498 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.3 m -116.18 155.31 28.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -132.95 164.44 26.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -154.4 155.48 35.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.57 ' N ' HD12 ' A' ' 41' ' ' LEU . 43.4 t -122.63 114.53 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.626 ' HD2' ' HB2' ' A' ' 28' ' ' ALA . 5.3 ptm180 -118.95 173.65 6.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -116.4 167.08 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.7 t -106.7 137.58 44.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.2 mt-10 -79.12 174.4 11.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.7 t 34.13 37.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.6 m -141.06 161.94 50.83 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.833 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HG2' ' CG ' ' A' ' 51' ' ' GLN . 52.9 Cg_endo -69.83 -162.98 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.07 64.63 1.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.543 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.416 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 8.2 mt-30 -103.43 170.15 8.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.957 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.675 ' CB ' HD12 ' A' ' 67' ' ' ILE . 95.6 mt -147.39 164.48 33.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.2 t -154.15 140.05 18.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.663 HD11 HD21 ' A' ' 89' ' ' LEU . 32.4 mt -109.17 104.22 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.6 m -100.43 97.91 8.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.121 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -110.69 122.7 48.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.575 ' HB2' HD13 ' A' ' 32' ' ' LEU . 4.2 tmt_? -93.02 98.59 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.606 ' CE1' ' HG2' ' A' ' 59' ' ' GLU . 8.5 t80 -97.41 155.28 16.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.606 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 2.1 pt-20 -31.77 93.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 146.63 -85.3 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -141.29 176.09 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.6 t -84.81 114.27 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.84 ' CE2' HG21 ' A' ' 101' ' ' VAL . 16.4 m-85 -97.07 160.7 14.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 65' ' ' TYR . 2.6 p80 -138.87 174.15 10.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.545 ' OH ' HG12 ' A' ' 101' ' ' VAL . 82.9 m-85 -158.29 123.84 4.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -84.22 101.82 12.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.675 HD12 ' CB ' ' A' ' 52' ' ' LEU . 71.3 mt -61.59 106.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -60.86 -178.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -151.97 137.17 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.0 p -107.38 176.63 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.18 92.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 73' ' ' GLY . 4.6 t70 -80.8 43.34 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 72' ' ' ASP . . . 34.6 65.46 0.37 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -118.46 152.78 35.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.828 0.346 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.19 135.38 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.656 ' HA ' HD12 ' A' ' 89' ' ' LEU . 9.0 p90 -173.99 124.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.704 ' O ' HG23 ' A' ' 77' ' ' VAL . 33.5 m -104.27 76.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.045 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 1.7 t -175.27 176.66 2.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -128.32 3.91 5.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -94.26 -32.29 13.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -154.54 179.88 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 78.3 mtm-85 -132.55 165.65 23.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -129.98 158.47 39.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.6 m -85.8 -58.39 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.9 p -120.33 171.27 8.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 89' ' ' LEU . 29.4 tp -61.62 -53.88 50.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 91' ' ' HIS . . . -40.41 -37.4 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -76.32 -33.74 59.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.41 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.663 HD21 HD11 ' A' ' 54' ' ' ILE . 1.1 tt -69.56 -47.26 64.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.616 ' N ' HD23 ' A' ' 89' ' ' LEU . 61.3 t -75.63 -27.52 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 81.7 t60 -78.51 -60.8 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -51.26 -51.13 56.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -51.95 -35.27 45.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -52.7 -27.14 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.807 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.4 m -83.3 -62.27 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.557 HG22 ' H ' ' A' ' 98' ' ' ASP . 7.1 p -121.94 136.92 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.678 ' N ' HG22 ' A' ' 103' ' ' THR . . . -50.62 -40.98 54.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.557 ' H ' HG22 ' A' ' 96' ' ' VAL . 4.5 t70 46.84 50.04 13.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.83 33.7 9.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.463 HD23 ' CE2' ' A' ' 65' ' ' TYR . 33.6 mt -127.28 154.35 45.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 1.121 ' CG1' HD21 ' A' ' 56' ' ' LEU . 6.0 p -49.7 -38.01 12.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.8 t -174.17 140.72 0.7 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.101 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.678 HG22 ' N ' ' A' ' 97' ' ' ALA . 57.0 p -53.56 120.43 6.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 mt -40.37 109.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -79.11 -72.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.544 ' CD1' HD11 ' A' ' 36' ' ' ILE . 40.8 m-85 -130.54 132.72 24.16 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 121.706 0.765 . . . . 0.0 110.88 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -178.21 2.24 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.8 137.48 54.27 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.562 0.696 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.54 ' O ' ' CE1' ' A' ' 20' ' ' HIS . 54.1 Cg_endo -69.74 174.04 10.06 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.629 2.219 . . . . 0.0 112.324 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -59.92 141.99 54.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 31.2 p -110.5 52.17 0.74 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -62.94 159.74 16.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 110.13 14.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' GLY . 34.2 t -70.79 140.5 51.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 114' ' ' SER . . . -37.75 99.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -175.37 1.12 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.732 2.288 . . . . 0.0 112.34 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.0 t -126.46 145.98 50.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.7 m -52.38 140.67 21.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -155.37 142.42 19.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -43.3 -59.49 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.75 161.93 32.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -95.92 167.64 11.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.876 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 p -50.74 -57.24 8.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.25 131.25 3.69 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.548 ' OG1' HG22 ' A' ' 10' ' ' VAL . 1.8 t -130.77 140.85 39.93 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.627 0.727 . . . . 0.0 111.102 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.19 35.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.64 2.227 . . . . 0.0 112.373 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.548 HG22 ' OG1' ' A' ' 8' ' ' THR . 3.0 m -73.23 -31.03 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.174 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 10' ' ' VAL . 5.3 p-10 34.6 50.42 0.42 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.527 ' H ' HG23 ' A' ' 10' ' ' VAL . 53.7 p -115.28 -45.95 2.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' SER . 3.9 mp -34.98 -59.22 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -99.12 87.37 3.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -72.61 -48.48 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.541 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 21.8 m80 -76.66 157.15 32.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.7 m -73.65 -40.79 63.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.546 ' HA ' ' HB3' ' A' ' 108' ' ' ALA . 2.9 p-90 -68.32 -38.17 81.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -59.72 104.95 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.976 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.558 ' CD2' ' CB ' ' A' ' 108' ' ' ALA . 4.9 m-70 -116.08 46.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . 35.65 -151.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 125.31 11.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.579 2.186 . . . . 0.0 112.378 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t -135.25 132.42 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.3 t -79.51 152.29 30.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -47.25 -50.82 20.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.2 t -54.67 -49.04 71.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.02 92.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -54.36 47.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.731 ' HG2' HG21 ' A' ' 62' ' ' VAL . 57.1 mt-10 -61.69 -51.5 68.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -54.06 -67.53 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 mt -38.89 -52.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 35' ' ' LEU . 61.8 mt -59.09 -44.31 91.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' LEU . 3.5 t -36.11 -53.24 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 t -68.39 -48.14 65.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 32' ' ' LEU . 51.5 mt -52.23 161.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.676 HD11 ' HD2' ' A' ' 106' ' ' TYR . 25.5 pt -66.9 157.83 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -76.66 50.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.23 -35.47 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -63.65 156.32 27.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.438 . . . . 0.0 110.791 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 104' ' ' LEU . 5.6 p90 -130.62 174.85 9.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.2 pp -158.72 152.3 23.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG22 HG12 ' A' ' 54' ' ' ILE . 95.0 t -112.05 109.75 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.4 ptt85 -102.71 -179.28 3.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -121.0 151.75 39.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.418 ' CB ' ' HB2' ' A' ' 51' ' ' GLN . 1.3 t -67.33 139.26 57.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -94.15 -48.4 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.7 m -47.46 -59.14 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.772 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.0 m -117.01 129.73 25.11 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.634 0.73 . . . . 0.0 110.898 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 130.67 19.75 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.707 2.271 . . . . 0.0 112.327 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.54 -42.11 2.01 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.39 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.418 ' HB2' ' CB ' ' A' ' 45' ' ' SER . 12.2 mm100 -61.26 141.15 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 110.841 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.517 ' C ' HD13 ' A' ' 67' ' ' ILE . 11.2 mt -126.59 159.4 33.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 p -154.81 149.54 26.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.413 HG12 HG22 ' A' ' 42' ' ' VAL . 18.5 mt -104.88 103.38 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -92.59 106.23 18.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.748 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -113.43 129.36 56.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' HB2' HD22 ' A' ' 32' ' ' LEU . 12.0 tpt180 -80.28 138.52 36.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.536 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 41.6 t80 -169.25 148.46 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.024 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 43.5 43.38 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.11 38.61 77.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.562 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -142.31 168.36 19.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.731 HG21 ' HG2' ' A' ' 29' ' ' GLU . 96.6 t -123.14 91.86 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.697 ' CD2' HG21 ' A' ' 101' ' ' VAL . 84.9 m-85 -81.46 149.8 28.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -125.42 135.54 52.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.885 ' OH ' HG23 ' A' ' 101' ' ' VAL . 97.2 m-85 -122.93 85.02 2.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.803 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -53.8 156.87 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.517 HD13 ' C ' ' A' ' 52' ' ' LEU . 3.1 mp -96.86 133.31 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -105.52 136.79 44.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.8 m -114.6 142.75 46.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 p -100.11 171.86 7.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -38.68 -62.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.71 -61.29 2.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 142.8 65.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -122.0 130.26 53.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.4 m -92.97 140.63 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.524 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 3.3 p90 -173.29 123.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.803 HG12 ' O ' ' A' ' 66' ' ' ARG . 27.6 m -100.13 75.93 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -175.46 174.25 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -126.31 -2.39 6.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -91.76 -44.56 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -135.57 -175.02 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.524 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 69.2 mtm-85 -136.01 171.49 14.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -137.68 171.63 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -100.76 -48.01 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.4 p -129.51 164.58 23.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.65 -52.13 64.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.96 -46.71 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -68.76 -34.52 75.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.82 HD23 ' C ' ' A' ' 89' ' ' LEU . 2.4 tt -61.96 -47.3 85.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.811 HG13 HD13 ' A' ' 104' ' ' LEU . 99.3 t -79.73 -50.62 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 94' ' ' SER . 5.0 t60 -52.13 -60.49 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.821 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -43.88 -47.15 8.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -85.2 31.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 54.1 p -97.94 -14.21 20.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.406 ' O ' HG21 ' A' ' 103' ' ' THR . 53.9 m -108.07 -41.73 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.107 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.609 HG22 ' H ' ' A' ' 98' ' ' ASP . 14.3 p -118.97 145.39 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -84.21 13.18 5.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.609 ' H ' HG22 ' A' ' 96' ' ' VAL . 19.8 m-20 -55.62 82.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 131.11 -39.16 1.82 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.49 HD13 HD21 ' A' ' 104' ' ' LEU . 24.7 mt -102.17 172.23 7.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.343 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.885 HG23 ' OH ' ' A' ' 65' ' ' TYR . 55.8 t -63.55 -49.35 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.0 t -144.1 149.31 36.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.042 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.533 HG22 ' C ' ' A' ' 96' ' ' VAL . 21.9 p -52.82 125.82 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.811 HD13 HG13 ' A' ' 90' ' ' VAL . 25.2 mt -64.74 85.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.492 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 1.7 p-80 -88.94 -54.4 4.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.798 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.676 ' HD2' HD11 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -119.37 99.25 50.3 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.636 0.732 . . . . 0.0 110.908 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 53.4 Cg_endo -69.8 -172.27 0.56 Allowed 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.709 2.273 . . . . 0.0 112.337 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.558 ' CB ' ' CD2' ' A' ' 20' ' ' HIS . . . -53.66 141.38 45.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.475 ' HG3' HD21 ' A' ' 35' ' ' LEU . 53.3 Cg_endo -69.82 141.19 44.36 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.293 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.07 168.35 10.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.6 t -129.97 138.18 50.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -145.0 140.39 28.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -100.73 -48.98 4.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.5 p -80.9 79.61 7.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.23 -79.25 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 91.11 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.387 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.1 t -95.31 152.01 18.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 t -149.71 157.99 43.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.567 -0.213 . . . . 0.0 112.567 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -163.44 138.91 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -158.53 157.86 32.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.78 119.67 0.51 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p -172.77 156.57 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.396 . . . . 0.0 110.907 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -154.81 117.24 4.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.56 107.95 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.9 p -139.84 135.12 16.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.53 0.681 . . . . 0.0 111.159 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 11' ' ' ASN . 53.3 Cg_endo -69.83 -168.26 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 10' ' ' VAL . 10.0 p 30.64 38.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' PRO . 43.1 p-10 -95.64 162.79 13.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.432 ' C ' HD23 ' A' ' 13' ' ' LEU . 3.5 m -153.48 108.51 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.432 HD23 ' C ' ' A' ' 12' ' ' SER . 0.2 OUTLIER -152.32 105.09 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' LYS . 11.0 mp0 49.82 40.93 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' GLU . 32.6 mmtt -35.34 -48.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 18.5 m-70 -69.23 125.77 27.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.766 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 m -55.84 -48.15 75.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 2.7 p-90 -63.5 -43.93 95.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CB ' ' HB2' ' A' ' 16' ' ' HIS . 32.4 t80 -61.32 118.5 6.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -105.96 -58.84 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.56 -116.81 3.69 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 91.2 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.638 2.225 . . . . 0.0 112.35 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.6 t -123.24 120.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.9 t -65.97 144.96 56.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 -44.51 -45.61 9.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -66.43 -55.07 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.56 -42.09 55.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.13 -54.48 30.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.752 ' HG2' HG21 ' A' ' 62' ' ' VAL . 68.1 mt-10 -70.13 -53.02 19.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -48.52 -59.1 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.948 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tt -43.6 -49.16 7.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.417 HD22 ' H ' ' A' ' 57' ' ' ARG . 38.1 mt -53.95 -45.95 71.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 t -41.17 -55.85 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -54.67 -47.39 73.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.573 HD11 ' CD ' ' A' ' 109' ' ' PRO . 12.9 mt -63.78 156.4 27.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.8 pt -51.56 168.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -80.46 44.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.3 51.43 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.8 m -129.41 149.77 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.935 0.398 . . . . 0.0 110.813 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CG ' HD22 ' A' ' 104' ' ' LEU . 2.7 p90 -122.49 155.6 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 108' ' ' ALA . 1.3 pp -144.8 152.74 40.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.6 t -115.87 113.68 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.54 ' O ' HD23 ' A' ' 52' ' ' LEU . 27.8 ptt85 -112.42 172.72 6.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -122.0 158.83 28.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -86.81 132.32 33.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.801 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' SER . 9.9 tm-20 -73.17 -58.65 3.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' GLU . 26.6 t -36.49 -62.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 t -126.52 135.21 26.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.651 0.739 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 172.98 11.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.632 2.221 . . . . 0.0 112.312 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.24 -43.92 2.57 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.74 122.46 15.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 43' ' ' ARG . 15.7 mt -122.03 170.4 9.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.445 ' HA ' HD12 ' A' ' 67' ' ' ILE . 49.0 m -160.33 141.61 12.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.1 mt -100.42 99.54 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.5 m -96.97 105.28 17.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.047 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -119.8 134.56 55.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.417 ' H ' HD22 ' A' ' 32' ' ' LEU . 5.8 tpp180 -93.03 129.93 38.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 5.8 t80 -152.43 117.41 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.412 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 9.1 tt0 68.63 41.09 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.59 36.2 92.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -144.2 141.39 29.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.752 HG21 ' HG2' ' A' ' 29' ' ' GLU . 54.4 t -104.44 111.31 33.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.547 ' CE2' HG21 ' A' ' 101' ' ' VAL . 46.4 m-85 -98.01 127.53 44.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -106.54 127.72 53.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -115.86 87.17 2.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -60.7 103.03 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.586 ' HA ' HG12 ' A' ' 77' ' ' VAL . 4.8 mp -54.14 133.16 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -90.95 156.24 18.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.1 m -136.3 138.35 41.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.3 p -103.54 173.37 6.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.102 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -37.57 -61.09 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.47 -54.85 40.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 135.15 38.49 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -89.31 121.82 31.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.6 m -87.92 132.63 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.519 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 19.5 p90 -169.71 114.27 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.707 ' O ' HG23 ' A' ' 77' ' ' VAL . 33.5 m -94.39 75.25 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -176.79 157.1 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.56 34.49 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -130.3 -43.98 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -140.32 175.24 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.519 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 75.6 mtm-85 -132.16 168.29 18.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -127.61 161.5 28.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.9 p -85.21 -54.34 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.856 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.7 p -127.34 164.68 21.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.105 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 89' ' ' LEU . 21.5 tp -56.84 -54.2 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -37.34 -48.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -69.06 -35.38 76.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.492 HD23 ' C ' ' A' ' 89' ' ' LEU . 8.9 tt -57.64 -50.4 73.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 104' ' ' LEU . 95.0 t -77.39 -45.47 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -56.13 -55.53 31.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.792 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -51.05 -49.07 61.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 95' ' ' THR . 32.1 m170 -59.25 -54.53 45.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.756 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 93' ' ' HIS . 25.2 p -35.21 -34.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.815 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' HIS . 41.6 m -81.27 -53.6 6.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.471 ' C ' HG22 ' A' ' 103' ' ' THR . 11.8 p -130.47 132.37 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.66 ' N ' HG22 ' A' ' 103' ' ' THR . . . -44.48 -47.76 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.8 t70 52.78 39.12 28.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.65 40.09 4.8 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.398 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.9 mt -134.26 153.13 52.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.365 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 1.047 ' CG1' HD21 ' A' ' 56' ' ' LEU . 8.6 p -40.74 -41.93 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.575 HG22 HG13 ' A' ' 101' ' ' VAL . 7.4 t -173.59 148.69 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.231 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.66 HG22 ' N ' ' A' ' 97' ' ' ALA . 36.4 p -55.0 125.95 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.596 HD22 ' CG ' ' A' ' 40' ' ' PHE . 29.5 mt -62.12 98.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -98.48 -51.42 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -111.18 98.99 41.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.539 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 53.3 Cg_endo -69.78 -170.74 0.41 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.713 2.275 . . . . 0.0 112.272 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . . . -75.89 141.19 71.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 111.024 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.573 ' CD ' HD11 ' A' ' 35' ' ' LEU . 52.8 Cg_endo -69.91 -173.34 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.614 2.209 . . . . 0.0 112.327 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.1 mmtt -94.72 162.01 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 35.3 t -68.36 -47.54 67.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 113' ' ' LYS . 14.7 t-20 -164.36 155.26 15.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 112' ' ' ASN . 0.0 OUTLIER -34.28 134.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 t -164.71 157.12 16.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.841 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -150.53 75.36 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.468 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 117' ' ' SER . 53.9 Cg_endo -69.77 -50.64 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 116' ' ' PRO . 53.8 p 34.31 42.27 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 72.7 m -156.34 155.55 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 179.928 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -82.66 122.74 28.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -56.85 169.96 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.817 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.36 -92.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.549 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.1 p -123.41 39.5 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.402 . . . . 0.0 110.891 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 p -121.55 108.85 14.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.91 -64.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -142.65 138.13 15.91 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.654 0.74 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.48 ' O ' ' C ' ' A' ' 10' ' ' VAL . 54.0 Cg_endo -69.69 -38.17 8.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.637 2.225 . . . . 0.0 112.457 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 11' ' ' ASN . 19.9 m -31.02 -43.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.491 ' N ' HG23 ' A' ' 10' ' ' VAL . 37.7 p-10 -107.33 87.88 2.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.3 p -76.29 153.58 35.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 mt -122.17 -61.13 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 19' ' ' TYR . 15.3 mp0 -102.53 85.64 2.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.793 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -57.12 -44.92 83.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.479 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 51.5 m-70 -87.94 151.02 23.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.9 m -69.27 -36.89 77.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.479 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 4.9 p-90 -75.49 -37.63 60.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 34.9 t80 -62.32 97.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' GLY . 13.2 m80 -109.6 45.53 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . 36.73 -156.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 118.42 5.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.299 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.3 t -128.0 124.42 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m -51.11 138.42 20.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -47.25 -41.7 19.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.801 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -66.42 -53.28 37.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.09 -53.93 36.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.478 ' HB1' HD21 ' A' ' 41' ' ' LEU . . . -42.23 -52.31 4.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.583 ' HG2' HG21 ' A' ' 62' ' ' VAL . 8.0 mt-10 -62.94 -54.13 43.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -44.05 -48.71 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 tp -60.15 -50.06 75.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.482 ' HG ' HD23 ' A' ' 41' ' ' LEU . 90.8 mt -60.75 -29.17 69.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.5 t -80.15 -1.48 40.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.1 p -120.82 20.39 11.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.433 ' CD2' ' HG3' ' A' ' 109' ' ' PRO . 23.4 mt -132.45 -177.32 4.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 pt -51.81 172.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -93.71 34.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.77 37.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -110.21 157.45 19.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 17.8 p90 -134.87 164.76 26.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.482 HD23 ' HG ' ' A' ' 32' ' ' LEU . 1.3 pp -147.63 157.73 43.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.438 ' N ' HD12 ' A' ' 41' ' ' LEU . 63.4 t -124.91 101.93 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -91.57 179.52 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -139.21 147.88 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.9 t -90.82 149.93 21.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 47' ' ' SER . 23.3 tt0 -102.25 -29.67 11.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' GLU . 11.2 m -36.75 -57.22 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.7 m -131.93 139.19 34.31 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.579 0.705 . . . . 0.0 110.941 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 84.49 0.65 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.799 2.333 . . . . 0.0 112.315 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.63 40.71 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -132.16 144.2 50.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.613 ' C ' HD13 ' A' ' 67' ' ' ILE . 15.3 mt -141.88 164.06 31.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.8 m -158.28 137.75 11.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.82 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.771 HD11 HD21 ' A' ' 89' ' ' LEU . 27.1 mt -100.62 127.59 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -125.24 109.29 12.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.818 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -119.64 137.64 53.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.495 ' N ' HD12 ' A' ' 56' ' ' LEU . 1.9 tmm_? -83.33 139.16 33.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -150.35 123.79 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 53.9 30.91 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.441 ' CA ' ' HD3' ' A' ' 57' ' ' ARG . . . 91.7 -36.17 3.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.449 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -80.11 144.9 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.583 HG21 ' HG2' ' A' ' 29' ' ' GLU . 84.7 t -98.95 134.19 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.916 ' CG ' HG21 ' A' ' 101' ' ' VAL . 51.9 m-85 -111.32 139.25 46.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.446 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 20.4 p80 -115.68 145.32 42.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.476 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 4.3 m-85 -139.13 110.1 6.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -73.62 135.17 43.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.613 HD13 ' C ' ' A' ' 52' ' ' LEU . 2.7 mp -82.88 138.89 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -109.97 128.95 55.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.2 m -112.68 134.29 54.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.7 p -91.18 172.03 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -39.22 -68.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -52.97 -70.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.06 77.3 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -132.58 112.94 12.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.0 m -83.54 138.39 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 17.8 p90 -173.56 116.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.62 ' O ' HG23 ' A' ' 77' ' ' VAL . 27.8 m -92.93 76.47 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -175.06 173.51 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -127.41 29.92 5.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -134.71 -39.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -131.68 177.12 7.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.807 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 33.1 mtm-85 -140.56 176.73 8.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.95 156.5 45.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.1 m -72.29 -63.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.7 p -124.55 -175.64 3.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.44 ' CD2' HD13 ' A' ' 52' ' ' LEU . 12.2 tp -68.66 -48.41 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 91' ' ' HIS . . . -46.0 -44.53 15.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.006 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -71.93 -26.2 62.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.771 HD21 HD11 ' A' ' 54' ' ' ILE . 10.2 tt -68.3 -50.67 51.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.533 HG13 HD13 ' A' ' 104' ' ' LEU . 39.8 t -81.33 -31.99 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 68.1 t60 -70.73 -43.94 67.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -70.25 -53.82 15.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -50.13 -37.71 35.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.6 p -48.04 -19.96 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.574 ' O ' HG21 ' A' ' 103' ' ' THR . 89.2 m -88.33 -73.49 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.555 ' C ' HG22 ' A' ' 103' ' ' THR . 8.2 p -112.26 138.86 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.667 ' N ' HG22 ' A' ' 103' ' ' THR . . . -47.76 -54.56 11.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.8 t0 51.7 29.03 5.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 134.85 -61.75 0.63 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.566 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.476 ' HG ' ' CE2' ' A' ' 65' ' ' TYR . 7.8 mp -46.28 140.25 4.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.916 HG21 ' CG ' ' A' ' 63' ' ' TYR . 3.4 t -33.6 -39.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.4 t -169.93 145.14 2.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.667 HG22 ' N ' ' A' ' 97' ' ' ALA . 65.5 p -43.32 151.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.564 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 4.0 mt -79.67 95.45 5.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -64.02 -68.88 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -129.74 133.4 25.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.573 0.702 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.517 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.69 -169.19 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.695 2.264 . . . . 0.0 112.323 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.72 135.48 45.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.494 0.664 . . . . 0.0 111.16 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.433 ' HG3' ' CD2' ' A' ' 35' ' ' LEU . 53.8 Cg_endo -69.74 135.68 31.12 Favored 'Trans proline' 0 C--N 1.34 0.132 0 C-N-CA 122.657 2.238 . . . . 0.0 112.318 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -55.85 144.46 27.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 92.8 m -90.06 83.39 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -152.37 105.19 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -119.63 168.23 11.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 m -106.81 -45.55 4.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 70.75 -161.95 53.81 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.8 -6.99 19.94 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.729 2.286 . . . . 0.0 112.296 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.2 t -167.68 112.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.1 m -40.4 161.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.826 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -162.83 144.56 10.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.814 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -95.08 -47.99 6.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.72 145.9 6.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.441 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -121.55 136.57 54.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -161.87 138.32 8.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.84 139.2 2.59 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.556 ' OG1' HG22 ' A' ' 10' ' ' VAL . 7.5 t -132.77 140.82 38.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 111.182 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 10' ' ' VAL . 53.0 Cg_endo -69.79 -46.63 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.605 2.204 . . . . 0.0 112.336 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.556 HG22 ' OG1' ' A' ' 8' ' ' THR . 28.4 m -34.96 -38.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.402 ' N ' HG23 ' A' ' 10' ' ' VAL . 12.8 m120 -95.72 144.84 25.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.3 p -102.48 93.7 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.801 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.9 mt -110.52 -53.01 2.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.52 45.49 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -106.11 -39.45 5.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.47 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 15.0 m80 -69.83 157.85 36.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.6 p -75.05 -43.02 55.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.484 ' CE3' HG21 ' A' ' 42' ' ' VAL . 13.5 p-90 -66.66 -25.21 66.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -77.82 98.93 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -86.93 -54.56 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.6 -116.83 5.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 90.52 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.42 143.62 40.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ARG . 39.0 m -93.98 137.77 32.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . 21.5 ttm180 -34.62 -55.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -53.37 -54.43 36.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.64 -43.43 62.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.14 -64.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.58 ' HG2' HG21 ' A' ' 62' ' ' VAL . 56.5 mt-10 -44.95 -51.66 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' LEU . 4.2 t80 -54.74 -63.65 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -36.1 -68.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.015 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.717 HD13 ' HG2' ' A' ' 57' ' ' ARG . 17.2 mt -38.9 -41.51 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.976 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 30' ' ' TYR . 4.3 t -49.21 -59.93 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.4 m -44.18 -45.82 8.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.782 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.539 HD11 ' HD2' ' A' ' 109' ' ' PRO . 10.1 mt -79.21 178.19 8.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.489 HD11 ' CD2' ' A' ' 106' ' ' TYR . 33.0 pt -73.34 166.93 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -55.85 -39.79 71.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.0 64.97 4.14 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -137.41 142.26 41.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.994 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CG ' HD22 ' A' ' 104' ' ' LEU . 28.5 p90 -128.79 167.7 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.435 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.6 pp -153.89 155.63 36.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.484 HG21 ' CE3' ' A' ' 18' ' ' TRP . 95.3 t -119.89 105.33 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 44' ' ' GLU . 46.9 ptt85 -117.62 178.09 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 5.4 tm-20 -100.97 142.5 32.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -53.38 136.2 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -75.16 -44.37 47.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.3 t -70.25 -70.53 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.807 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.6 m -75.76 119.15 75.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.87 132.1 22.45 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.05 -41.38 3.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -53.84 120.77 6.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.402 ' C ' HD13 ' A' ' 67' ' ' ILE . 73.8 mt -76.32 167.17 22.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.0 t -165.38 135.44 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.7 mt -101.15 141.22 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.3 m -139.35 119.1 13.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.813 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.722 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -131.0 148.32 52.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.717 ' HG2' HD13 ' A' ' 32' ' ' LEU . 4.0 mmt85 -88.24 127.68 35.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.595 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 14.7 t80 -132.15 119.93 21.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.989 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 63.18 25.22 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.448 ' O ' ' CD ' ' A' ' 57' ' ' ARG . . . 99.33 -44.34 1.7 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 -73.33 155.55 39.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.58 HG21 ' HG2' ' A' ' 29' ' ' GLU . 92.4 t -92.83 142.42 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 1.095 ' CD2' HG11 ' A' ' 101' ' ' VAL . 5.1 m-85 -124.67 164.48 19.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.996 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.428 ' C ' ' CG ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -140.13 167.1 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.575 ' OH ' HG22 ' A' ' 101' ' ' VAL . 5.7 m-85 -157.45 112.4 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.943 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -74.68 133.92 42.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.424 ' CG2' HG12 ' A' ' 75' ' ' VAL . 3.6 mp -82.71 135.29 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -111.78 148.53 33.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.2 146.6 44.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -130.23 -59.28 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -151.88 150.8 30.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 47.86 38.51 9.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.4 28.58 64.92 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HB2' HG23 ' A' ' 70' ' ' THR . 45.9 mttt -67.76 121.49 16.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.424 HG12 ' CG2' ' A' ' 67' ' ' ILE . 10.8 m -107.86 140.49 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.455 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 19.9 p90 -168.25 118.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 77' ' ' VAL . 34.5 m -97.27 75.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.177 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 t -176.4 165.81 2.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.099 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -119.53 32.39 6.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -135.03 -38.63 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 p -134.15 177.39 7.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.405 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 67.7 mtt180 -140.98 177.88 7.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -146.59 176.88 9.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.3 p -94.39 -60.8 1.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.3 p -129.6 177.03 7.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' ALA . 13.4 tp -61.48 -57.23 13.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -36.25 -38.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.049 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.74 -44.18 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.667 HD23 ' C ' ' A' ' 89' ' ' LEU . 3.4 tt -50.54 -42.5 55.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.743 HG13 ' CD1' ' A' ' 104' ' ' LEU . 74.2 t -81.76 -62.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.431 ' O ' ' CB ' ' A' ' 94' ' ' SER . 3.7 t-80 -47.22 -61.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -47.61 -57.93 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.792 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 95' ' ' THR . 9.3 m170 -44.11 -36.12 2.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 7.8 t -37.8 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' HIS . 77.8 m -86.15 -58.65 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.105 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.578 HG22 ' H ' ' A' ' 98' ' ' ASP . 12.4 p -109.08 146.53 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -88.26 15.02 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.578 ' H ' HG22 ' A' ' 96' ' ' VAL . 15.6 t0 -47.06 88.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 124.2 -49.79 0.89 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.422 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.563 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . 7.5 mp -90.71 147.61 23.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 1.095 HG11 ' CD2' ' A' ' 63' ' ' TYR . 20.6 m -45.6 -40.18 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.511 HG22 HG23 ' A' ' 101' ' ' VAL . 13.8 t -150.51 147.99 28.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.573 HG22 ' C ' ' A' ' 96' ' ' VAL . 66.7 p -53.17 134.3 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.743 ' CD1' HG13 ' A' ' 90' ' ' VAL . 78.4 mt -52.44 114.18 1.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -80.2 -67.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.489 ' CD2' HD11 ' A' ' 36' ' ' ILE . 37.0 m-85 -138.19 135.15 18.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.663 0.744 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.499 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.82 -177.95 2.14 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.388 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -111.96 137.13 21.27 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.54 0.686 . . . . 0.0 111.063 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.539 ' HD2' HD11 ' A' ' 35' ' ' LEU . 53.7 Cg_endo -69.86 -179.34 2.89 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -74.25 151.02 39.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.7 t -154.86 172.72 17.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.998 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -153.8 171.51 18.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -127.83 128.14 44.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.4 t -112.4 -50.88 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 133.0 149.86 6.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 118' ' ' SER . 53.3 Cg_endo -69.75 2.0 3.92 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.729 2.286 . . . . 0.0 112.338 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 116' ' ' PRO . 50.5 m -34.86 95.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 116' ' ' PRO . 33.8 m -88.14 143.24 27.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -161.9 113.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.934 0.397 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -152.47 173.71 14.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.944 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.04 -41.16 0.25 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.566 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 p -41.51 160.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.825 0.345 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 p -167.91 148.87 5.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.14 -172.71 25.74 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.454 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.4 p -48.4 142.47 8.22 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 121.567 0.698 . . . . 0.0 111.142 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.474 ' O ' ' N ' ' A' ' 11' ' ' ASN . 55.0 Cg_endo -69.63 -31.64 20.68 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.742 2.294 . . . . 0.0 112.397 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 m 39.22 25.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 9' ' ' PRO . 37.6 p30 -94.47 163.32 13.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.2 m -122.09 94.45 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.804 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mt 67.95 40.06 2.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.942 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' HIS . 1.9 tt0 -53.06 -39.09 63.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 14' ' ' GLU . 37.6 mtpt -34.44 -33.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.539 ' ND1' ' CZ2' ' A' ' 18' ' ' TRP . 31.5 m170 -47.22 168.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -100.19 -11.56 20.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.813 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.539 ' CZ2' ' ND1' ' A' ' 16' ' ' HIS . 3.7 p-90 -103.84 -27.1 12.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -81.23 111.81 17.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.975 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -116.18 36.79 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 52.94 -157.12 4.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 102.79 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.637 2.225 . . . . 0.0 112.384 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.2 t -112.98 130.85 66.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.164 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ARG . 17.2 m -60.73 124.6 20.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' SER . 2.9 ptp85 -34.58 -38.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 8.7 t -69.78 -55.03 10.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.8 -47.88 64.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.56 -69.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.103 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.78 ' HG2' HG11 ' A' ' 62' ' ' VAL . 46.1 mt-10 -46.55 -21.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.3 -67.96 0.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.1 tp -46.77 -50.14 18.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.568 ' CD2' HD23 ' A' ' 41' ' ' LEU . 94.0 mt -39.84 -66.76 0.27 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' SER . 10.7 t -59.7 -57.57 12.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' SER . 24.2 p -35.74 -47.75 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.425 HD11 ' HD3' ' A' ' 109' ' ' PRO . 12.3 mt -58.72 -75.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.982 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 pt -143.55 -176.19 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.9 30.86 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.57 100.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -153.22 155.3 36.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.879 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.53 ' CE1' HD13 ' A' ' 104' ' ' LEU . 2.9 p90 -131.78 146.82 52.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 41' ' ' LEU . 2.4 pp -144.83 160.84 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.445 ' N ' HD12 ' A' ' 41' ' ' LEU . 75.8 t -115.6 106.85 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.7 ptt85 -97.67 156.28 16.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -118.1 156.04 29.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.5 m -83.27 138.51 33.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -88.47 -59.33 2.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 61.7 p -45.19 -49.28 12.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.42 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 29.0 m -126.16 102.57 27.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 48' ' ' SER . 54.2 Cg_endo -69.81 119.11 6.11 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.656 2.237 . . . . 0.0 112.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 136.78 -16.62 3.74 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -95.44 87.93 4.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.876 0.37 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.536 ' C ' HD13 ' A' ' 67' ' ' ILE . 4.2 mm? -73.31 162.77 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.3 t -154.84 138.93 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.775 HD11 HD21 ' A' ' 89' ' ' LEU . 23.5 mt -111.02 107.89 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.142 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 m -105.71 105.22 15.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.823 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -113.36 138.72 49.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.498 ' N ' HD12 ' A' ' 56' ' ' LEU . 2.4 mmm180 -81.91 132.34 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.653 ' CD2' ' CG2' ' A' ' 101' ' ' VAL . 89.0 t80 -156.27 121.59 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 61.39 42.59 11.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.15 35.95 91.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -145.82 162.55 37.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.78 HG11 ' HG2' ' A' ' 29' ' ' GLU . 71.9 t -116.39 114.8 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.856 ' CE1' HG21 ' A' ' 101' ' ' VAL . 93.4 m-85 -96.02 127.22 41.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -100.75 134.23 44.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.698 ' OH ' HG12 ' A' ' 101' ' ' VAL . 73.0 m-85 -129.95 105.47 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.33 124.76 24.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.536 HD13 ' C ' ' A' ' 52' ' ' LEU . 1.9 mp -74.59 122.08 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.229 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -86.47 174.63 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.8 m -153.9 134.77 13.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.6 p -87.62 168.37 13.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.61 -43.69 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.3 -69.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.4 66.64 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -120.17 121.19 38.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.5 m -92.76 129.74 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.509 ' HA ' HD12 ' A' ' 89' ' ' LEU . 26.6 p90 -167.27 117.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 77' ' ' VAL . 32.9 m -95.85 74.85 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 t -176.9 146.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.196 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.42 8.54 43.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.11 -47.94 5.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 t -138.17 -179.88 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 -127.13 170.02 12.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -138.41 152.58 48.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.1 p -75.44 -57.86 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.1 p -125.68 -176.3 3.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 10.2 tp -73.34 -49.41 27.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.39 -30.56 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.069 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.19 -26.34 23.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.775 HD21 HD11 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -69.93 -42.12 73.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.715 ' N ' HD23 ' A' ' 89' ' ' LEU . 75.6 t -83.18 -37.55 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -69.27 -51.83 33.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -60.83 -41.47 95.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -63.81 -39.87 95.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.3 p -46.71 -29.76 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.2 m -87.58 -61.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.558 ' C ' HG22 ' A' ' 103' ' ' THR . 14.2 p -111.03 143.34 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.612 ' N ' HG22 ' A' ' 103' ' ' THR . . . -73.97 -44.82 53.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 t0 57.12 35.36 26.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.26 -28.68 9.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.575 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.496 HD22 ' CE2' ' A' ' 65' ' ' TYR . 18.3 mt -57.69 148.38 24.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.856 HG21 ' CE1' ' A' ' 63' ' ' TYR . 3.7 p -43.08 -40.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.052 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.496 HG22 HG13 ' A' ' 101' ' ' VAL . 10.3 t -171.49 148.05 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.612 HG22 ' N ' ' A' ' 97' ' ' ALA . 75.4 p -64.05 128.25 34.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.53 HD13 ' CE1' ' A' ' 40' ' ' PHE . 26.6 mt -48.81 138.7 10.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.979 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.492 ' CD2' ' H ' ' A' ' 106' ' ' TYR . 4.1 p-80 -118.59 -67.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.492 ' H ' ' CD2' ' A' ' 105' ' ' HIS . 0.9 OUTLIER -118.37 111.25 38.41 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.681 0.753 . . . . 0.0 110.926 -179.829 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 54.5 Cg_endo -69.82 -179.09 2.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.796 ' HB1' ' HD2' ' A' ' 109' ' ' PRO . . . -66.77 167.12 14.64 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.17 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.796 ' HD2' ' HB1' ' A' ' 108' ' ' ALA . 54.2 Cg_endo -69.72 166.36 27.81 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.781 2.321 . . . . 0.0 112.365 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -71.01 121.76 18.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 26.0 p -54.74 -39.68 68.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -113.19 159.45 19.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -127.01 -55.39 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.9 p -85.12 93.32 8.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' A' ' 116' ' ' PRO . . . -40.31 101.41 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 115' ' ' GLY . 53.6 Cg_endo -69.82 131.71 21.72 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.709 2.273 . . . . 0.0 112.36 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 76.7 p -100.3 144.88 28.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 35.6 t -170.47 126.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.808 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.493 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -73.9 142.77 45.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.937 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.9 p -88.82 134.54 33.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.3 168.17 15.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -84.79 106.62 16.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -81.34 90.73 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.71 171.93 37.95 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.423 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.5 p -67.21 122.02 81.02 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-O 121.512 0.672 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 10' ' ' VAL . 54.1 Cg_endo -69.86 -12.34 32.52 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.657 2.238 . . . . 0.0 112.4 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 10' ' ' VAL . 24.4 m 32.61 46.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.401 ' CG ' ' HG3' ' A' ' 14' ' ' GLU . 89.4 m-20 -71.94 128.21 35.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -97.87 -48.87 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mp -129.43 86.19 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' HG3' ' CG ' ' A' ' 11' ' ' ASN . 4.3 mm-40 -111.07 34.53 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -77.86 -48.57 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.504 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 12.6 m80 -57.35 159.43 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.1 m -82.06 -43.96 17.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.504 ' CZ2' ' CG ' ' A' ' 16' ' ' HIS . 1.1 p-90 -60.43 -47.61 85.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -38.74 121.37 1.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -105.48 -42.76 5.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.96 -156.66 15.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 90.98 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.298 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.9 t -117.22 151.03 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ARG . 17.3 m -100.9 145.86 28.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . 16.2 ptt180 -34.9 -42.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -72.17 -65.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.97 -37.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.63 -66.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -47.32 -41.25 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -67.82 -36.98 81.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.14 -54.79 28.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' A' ' 35' ' ' LEU . 5.8 mt -52.77 -32.39 43.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -45.99 -35.34 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.2 t -89.64 32.43 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 32' ' ' LEU . 43.0 mt -143.86 177.45 8.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.994 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 pt -82.06 159.42 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -76.37 51.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.756 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.84 -33.68 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -62.0 158.08 17.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.926 0.393 . . . . 0.0 110.883 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.55 ' CD1' HD22 ' A' ' 104' ' ' LEU . 18.8 p90 -131.65 163.34 28.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.4 pp -141.09 155.82 46.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.762 HG22 HG12 ' A' ' 54' ' ' ILE . 93.4 t -126.48 102.42 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -105.84 173.1 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 45' ' ' SER . 20.8 tt0 -124.68 112.25 16.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' GLU . 43.5 t -36.55 128.89 0.79 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.6 OUTLIER -75.31 -50.24 16.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' GLU . 58.7 m -34.66 -53.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.0 t -130.37 135.5 27.52 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 153.32 69.18 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.695 2.264 . . . . 0.0 112.387 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.56 -49.65 3.18 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -53.99 129.83 35.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 110.975 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.4 mt -118.15 166.93 11.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.413 ' HA ' HD12 ' A' ' 67' ' ' ILE . 21.6 p -158.99 131.38 6.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.932 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.762 HG12 HG22 ' A' ' 42' ' ' VAL . 20.2 mt -102.8 96.8 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.07 97.13 10.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.974 HD21 HG12 ' A' ' 101' ' ' VAL . 0.2 OUTLIER -106.55 122.15 45.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.8 108.73 20.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.603 ' CE1' ' HG2' ' A' ' 59' ' ' GLU . 8.3 t80 -114.86 155.09 27.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.603 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 2.0 pt-20 -30.76 95.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 146.72 -88.91 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.442 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -145.45 175.72 10.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.981 0.42 . . . . 0.0 110.773 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.4 t -79.1 128.24 38.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.524 ' CE2' HG21 ' A' ' 101' ' ' VAL . 16.6 m-85 -117.83 123.97 47.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -109.23 144.15 37.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.41 ' HE2' HD23 ' A' ' 56' ' ' LEU . 2.8 m-85 -127.91 95.95 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -66.15 85.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.627 ' H ' HD12 ' A' ' 67' ' ' ILE . 4.3 mp -37.44 137.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -91.02 173.06 8.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.9 m -147.51 137.47 22.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.4 p -92.57 175.47 6.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.8 -43.37 58.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -67.55 -59.76 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.96 37.92 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -90.54 177.48 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -137.72 134.28 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.584 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 12.6 p90 -172.14 120.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.541 HG22 HD11 ' A' ' 89' ' ' LEU . 17.7 m -101.18 76.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -175.22 170.38 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -123.39 30.8 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -131.0 -38.8 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 m -140.1 178.6 7.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.584 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 74.4 mtm-85 -135.87 177.73 7.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -143.04 158.13 43.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.9 m -80.62 -57.83 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.8 p -121.75 177.64 5.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.525 HD21 HG11 ' A' ' 42' ' ' VAL . 17.2 tp -69.53 -56.32 7.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.39 -35.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 46.9 mm-40 -74.77 -35.93 62.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.541 HD11 HG22 ' A' ' 77' ' ' VAL . 2.8 tt -65.06 -47.92 75.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.505 ' N ' HD23 ' A' ' 89' ' ' LEU . 55.4 t -71.34 -49.56 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -60.83 -48.72 80.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.469 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 55.3 t-80 -55.92 -56.67 17.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -45.55 -36.33 4.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.4 p -40.4 -30.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 m -84.96 -46.82 10.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 98' ' ' ASP . 14.6 p -128.76 144.97 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.161 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -84.44 12.08 7.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.689 ' H ' HG22 ' A' ' 96' ' ' VAL . 24.3 m-20 -38.48 92.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 107.0 -45.79 1.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.503 HD23 HD21 ' A' ' 104' ' ' LEU . 7.3 mp -76.64 162.82 27.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.894 0.378 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.974 HG12 HD21 ' A' ' 56' ' ' LEU . 1.1 p -59.06 -39.84 79.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.436 ' N ' ' CG1' ' A' ' 101' ' ' VAL . 5.1 t -169.15 146.9 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.213 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.467 ' N ' ' HB2' ' A' ' 97' ' ' ALA . 22.6 p -37.86 108.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.55 HD22 ' CD1' ' A' ' 40' ' ' PHE . 78.4 mt -40.1 133.77 1.66 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -105.99 -68.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -120.15 116.49 32.5 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.752 . . . . 0.0 110.942 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.498 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.71 -42.86 3.09 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.411 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -163.83 148.76 8.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.667 0.746 . . . . 0.0 110.985 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.483 ' HG3' HD21 ' A' ' 35' ' ' LEU . 53.2 Cg_endo -69.83 171.82 13.84 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.697 2.265 . . . . 0.0 112.257 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -107.48 34.94 3.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 58.8 m -124.36 178.4 5.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -135.11 173.95 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -107.9 151.84 25.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.5 t -153.77 160.14 42.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -153.14 93.16 0.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.83 -12.99 33.87 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.643 2.229 . . . . 0.0 112.406 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 88.1 p -40.77 143.18 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.796 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.8 t -88.34 154.2 20.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.422 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 p -69.59 87.16 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m -149.8 140.68 22.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.84 -174.52 31.63 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 m -102.22 117.72 35.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 0.0 110.823 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -85.09 105.33 15.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.62 -117.71 0.86 Allowed Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.435 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.5 p -126.58 148.81 66.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.662 0.744 . . . . 0.0 111.124 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 10' ' ' VAL . 53.8 Cg_endo -69.73 -168.67 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 10' ' ' VAL . 9.8 p 29.69 43.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' PRO . 21.9 t-20 -88.87 -49.55 6.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -98.51 147.17 25.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.6 mt -71.19 -73.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 49.03 40.57 17.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt -87.39 -40.74 14.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -63.11 160.43 15.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -86.49 -41.48 14.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -68.31 -34.55 76.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -66.37 101.77 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -105.5 39.52 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 37.7 -155.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 112.94 3.2 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.583 HG12 ' HB3' ' A' ' 27' ' ' ALA . 55.8 t -117.9 151.65 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' ARG . 7.4 p -80.4 144.42 32.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' SER . 1.9 mpp_? -37.52 -59.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ALA . 2.3 m -57.15 -57.74 11.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.583 ' HB3' HG12 ' A' ' 23' ' ' VAL . . . -37.29 -40.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.58 -59.86 4.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.71 ' HG2' HG21 ' A' ' 62' ' ' VAL . 18.0 mt-10 -56.94 -50.44 72.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.58 -67.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tp -46.38 -32.32 3.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 35' ' ' LEU . 20.7 mt -74.6 -40.96 61.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.7 t -47.38 -58.11 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -55.0 -51.73 65.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 32' ' ' LEU . 64.9 mt -47.86 155.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.2 pt -61.44 -178.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -86.87 48.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.88 31.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.413 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.9 m -112.66 144.62 41.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 107' ' ' PRO . 11.7 p90 -131.69 154.33 49.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.561 ' CB ' ' HB2' ' A' ' 108' ' ' ALA . 1.2 pp -146.8 152.15 38.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -114.9 126.1 72.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.6 ptt85 -128.86 -176.68 3.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -115.46 124.5 51.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.9 p -66.07 125.5 25.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -80.9 165.89 21.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.7 t 58.36 42.54 21.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -154.39 156.57 31.82 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.59 0.71 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 82.38 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.67 2.247 . . . . 0.0 112.316 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 46.21 51.15 11.9 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -96.89 156.48 16.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.759 ' CB ' HD12 ' A' ' 67' ' ' ILE . 4.8 mt -130.51 164.36 25.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.1 t -158.5 143.67 16.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.7 mt -100.06 129.81 50.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -121.14 109.7 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.814 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -118.82 146.31 44.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.601 ' N ' HD12 ' A' ' 56' ' ' LEU . 4.0 mmm180 -88.72 122.23 31.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.564 ' HB2' HD11 ' A' ' 56' ' ' LEU . 32.9 t80 -132.96 133.89 43.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.423 ' HG2' ' CD2' ' A' ' 58' ' ' TYR . 8.4 pt-20 36.38 38.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.88 49.35 29.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -146.88 156.05 42.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.8 0.334 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.71 HG21 ' HG2' ' A' ' 29' ' ' GLU . 49.5 t -107.99 92.6 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.692 ' CD2' HG11 ' A' ' 101' ' ' VAL . 76.4 m-85 -86.62 124.72 33.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -107.33 123.08 47.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.637 ' OH ' HG13 ' A' ' 101' ' ' VAL . 4.4 m-85 -115.48 100.07 7.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.558 ' O ' HG12 ' A' ' 77' ' ' VAL . 22.0 mtt180 -55.5 145.2 23.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.759 HD12 ' CB ' ' A' ' 52' ' ' LEU . 95.9 mt -103.48 118.63 50.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -93.11 138.29 31.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.8 m -113.51 137.83 51.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.8 p -90.57 170.15 10.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.59 -66.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.013 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -53.1 -54.78 30.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 137.84 62.32 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.431 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -116.3 132.5 56.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.2 m -100.4 140.9 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.467 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 10.5 p90 -171.2 118.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 77' ' ' VAL . 34.0 m -100.19 75.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 1.3 t -175.81 172.03 2.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -125.86 18.36 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -110.89 -31.6 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -156.3 174.43 15.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 82' ' ' ARG . 26.7 mtm105 -127.14 158.75 36.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -122.22 163.79 18.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.7 m -85.35 -56.97 3.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.7 p -123.73 176.24 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.209 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' ALA . 11.6 tp -65.6 -56.78 10.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -34.11 -53.86 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -64.04 -54.58 31.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.814 HD23 ' C ' ' A' ' 89' ' ' LEU . 2.7 tt -38.97 -52.9 1.79 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 104' ' ' LEU . 47.3 t -74.95 -55.47 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -52.02 -67.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -40.15 -56.06 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 95' ' ' THR . 16.7 m170 -49.87 -39.53 39.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.7 m -44.15 -22.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.838 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 93' ' ' HIS . 71.4 m -88.67 -42.27 12.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.492 HG13 ' HB2' ' A' ' 98' ' ' ASP . 7.5 p -132.32 144.9 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.167 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -80.53 12.42 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.189 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.492 ' HB2' HG13 ' A' ' 96' ' ' VAL . 36.2 m-20 -49.62 87.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 126.86 -47.23 1.03 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.552 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 65' ' ' TYR . 25.4 mt -90.47 174.25 7.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.953 0.406 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.692 HG11 ' CD2' ' A' ' 63' ' ' TYR . 3.4 m -71.45 -28.23 31.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.7 t -162.1 154.41 19.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.5 p -56.7 132.0 50.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.493 HD22 ' CG ' ' A' ' 40' ' ' PHE . 89.9 mt -55.6 109.13 0.51 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -78.25 -65.26 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -137.13 133.34 18.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.692 0.758 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.507 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.71 -176.1 1.36 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.731 2.287 . . . . 0.0 112.323 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.561 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . . . -74.21 158.32 85.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.714 0.769 . . . . 0.0 111.072 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 108' ' ' ALA . 53.1 Cg_endo -69.77 158.73 55.93 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.724 2.283 . . . . 0.0 112.363 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -46.81 164.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.97 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 29.4 p -156.6 -178.9 7.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 38.53 38.8 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.34 84.08 2.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.803 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.9 p -150.62 128.78 11.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.734 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 101.31 137.4 9.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.505 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 93.9 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.6 m -97.4 84.66 3.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.4 p 42.47 42.31 2.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.767 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.418 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -149.71 129.94 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -109.97 166.39 10.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.85 -152.69 24.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -139.28 178.44 7.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 m -92.59 177.29 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.99 137.47 3.71 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.416 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.565 ' OG1' HG22 ' A' ' 10' ' ' VAL . 76.9 p -139.81 142.5 31.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.53 0.681 . . . . 0.0 111.122 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -17.81 37.16 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.718 2.278 . . . . 0.0 112.308 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.565 HG22 ' OG1' ' A' ' 8' ' ' THR . 30.6 m -41.33 163.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER -35.79 152.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.8 m -124.14 114.56 19.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -117.76 22.17 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -91.42 48.17 1.45 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -47.32 -67.31 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -46.13 149.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.792 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 m -72.72 -49.47 30.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.5 p-90 -64.74 -41.88 95.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -62.52 113.81 3.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' GLY . 4.7 m-70 -123.14 42.78 3.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . 36.77 -153.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 124.57 11.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.318 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.3 t -131.78 124.21 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 m -52.57 143.28 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -45.54 -56.6 4.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.9 p -57.34 -45.72 84.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.81 -47.43 77.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' HB2' ' HD2' ' A' ' 43' ' ' ARG . . . -56.59 -59.19 5.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.944 ' HG2' HG21 ' A' ' 62' ' ' VAL . 37.3 mt-10 -56.8 -54.98 40.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -51.94 -50.39 61.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 mt -53.82 -43.6 69.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 57' ' ' ARG . 37.7 mt -67.18 -54.97 16.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' LEU . 60.0 p -34.16 -44.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -66.66 -49.24 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' LEU . 34.0 mt -71.27 157.01 38.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.986 HD12 ' N ' ' A' ' 38' ' ' GLY . 2.6 pp -59.0 154.89 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -75.68 47.46 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.808 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.986 ' N ' HD12 ' A' ' 36' ' ' ILE . . . -138.55 -18.08 0.56 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.554 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -88.61 160.69 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 110.824 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 104' ' ' LEU . 29.5 p90 -129.52 173.01 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.482 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.1 pp -154.2 150.05 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.24 102.09 12.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.452 ' HD2' ' HB2' ' A' ' 28' ' ' ALA . 4.5 ptm180 -107.58 156.91 18.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -108.16 135.46 49.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.4 t -58.67 145.12 41.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -64.53 136.88 57.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.7 m 53.41 39.29 29.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 m -131.55 85.21 53.18 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.697 0.761 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 108.48 2.1 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.665 2.243 . . . . 0.0 112.415 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.37 -53.2 0.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -58.54 149.9 24.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.365 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.55 ' HB2' HD13 ' A' ' 67' ' ' ILE . 84.0 mt -145.36 170.11 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.2 m -150.74 134.09 16.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.449 HG13 HD11 ' A' ' 67' ' ' ILE . 22.2 mt -98.9 96.21 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.1 m -91.93 86.93 6.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.061 HD21 HG12 ' A' ' 101' ' ' VAL . 0.5 OUTLIER -100.61 132.57 45.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.92 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.616 ' HB2' HD13 ' A' ' 32' ' ' LEU . 6.4 tpt180 -88.2 131.56 34.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -153.35 117.79 4.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 68.22 37.44 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.87 46.15 92.36 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.4 mtp85 -153.16 147.21 25.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.944 HG21 ' HG2' ' A' ' 29' ' ' GLU . 21.7 t -101.42 114.7 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.728 ' CE2' HG21 ' A' ' 101' ' ' VAL . 35.2 m-85 -108.43 127.84 54.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -106.94 148.18 28.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.439 ' CE2' HD23 ' A' ' 100' ' ' LEU . 91.7 m-85 -134.05 106.47 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -66.74 86.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 67' ' ' ILE . 5.3 mp -43.01 99.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -60.35 154.02 21.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.491 HG22 ' H ' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -139.62 146.47 39.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 p -103.52 114.03 27.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 51.75 25.01 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 t0 73.56 47.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.963 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.491 ' H ' HG22 ' A' ' 69' ' ' THR . . . -143.03 -99.57 0.32 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.447 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -56.72 155.12 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.729 HG22 ' HA ' ' A' ' 85' ' ' THR . 27.1 m -132.9 143.3 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.581 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 4.8 p90 -175.1 132.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.855 HG13 HD11 ' A' ' 89' ' ' LEU . 34.5 m -103.76 73.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.165 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 2.6 t -178.67 167.1 1.76 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.02 -12.33 11.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -80.29 -46.94 15.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.0 p -130.72 -173.65 3.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.581 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 46.8 mtm180 -137.99 176.35 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 82' ' ' ARG . 43.1 m-85 -148.7 141.62 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.428 ' OG ' HG23 ' A' ' 85' ' ' THR . 3.3 t -57.72 -58.48 8.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.729 ' HA ' HG22 ' A' ' 75' ' ' VAL . 21.1 p -141.57 175.06 9.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.515 ' N ' HG21 ' A' ' 75' ' ' VAL . 11.2 tp -47.0 -54.15 10.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -35.81 -51.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -72.12 -37.65 69.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.855 HD11 HG13 ' A' ' 77' ' ' VAL . 6.0 tt -57.54 -47.58 81.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.616 HG13 HD13 ' A' ' 104' ' ' LEU . 82.1 t -81.26 -36.59 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.182 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -68.18 -67.27 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -41.77 -50.49 4.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.784 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.506 ' CD2' ' HB3' ' A' ' 98' ' ' ASP . 26.7 m170 -58.36 -44.38 88.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' HIS . 23.0 t -33.31 -37.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 93' ' ' HIS . 49.1 m -76.02 -52.4 10.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.555 HG22 ' H ' ' A' ' 98' ' ' ASP . 7.2 p -132.57 138.73 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.46 ' N ' HG22 ' A' ' 103' ' ' THR . . . -49.58 -41.85 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.555 ' H ' HG22 ' A' ' 96' ' ' VAL . 8.0 t70 51.78 39.17 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.08 38.34 4.88 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.481 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.439 HD23 ' CE2' ' A' ' 65' ' ' TYR . 27.5 mt -131.38 147.67 52.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.954 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 1.061 HG12 HD21 ' A' ' 56' ' ' LEU . 9.3 p -39.18 -34.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.495 HG22 HG13 ' A' ' 101' ' ' VAL . 6.2 t -175.49 153.86 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.462 HG22 ' C ' ' A' ' 96' ' ' VAL . 3.7 p -62.34 142.1 57.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.616 HD13 HG13 ' A' ' 90' ' ' VAL . 17.7 mt -87.23 96.69 10.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -117.96 -24.01 7.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -112.47 80.77 3.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.492 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 55.1 Cg_endo -69.69 146.53 60.91 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.409 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -38.55 134.46 0.97 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 111.104 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -168.69 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 111' ' ' CYS . 0.2 OUTLIER -74.63 123.81 25.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 110' ' ' LYS . 4.3 t -34.55 125.95 0.5 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.82 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.38 170.48 10.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -86.9 133.48 33.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.8 m -160.8 128.73 4.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.21 -169.63 9.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 160.74 48.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.293 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.9 t -163.48 122.78 2.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.8 t -102.62 175.13 5.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.98 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.5 p -156.92 129.14 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.826 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -119.06 142.43 47.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.11 -124.69 4.22 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m -81.06 118.39 22.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.873 0.368 . . . . 0.0 110.787 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 t -66.49 -56.12 12.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.47 60.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.425 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.415 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 29.7 p -123.09 97.16 43.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 111.132 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 8' ' ' THR . 52.7 Cg_endo -69.7 -14.73 36.7 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.301 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.7 p -170.4 152.67 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -50.22 150.25 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.2 m -123.15 136.45 54.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mp -133.49 92.34 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -112.46 99.55 8.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -113.93 -42.13 3.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.493 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 63.3 m-70 -77.15 145.75 37.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.814 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 m -63.99 -49.79 71.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.78 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.2 p-90 -60.36 -34.37 73.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -68.29 118.25 11.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -97.02 -48.95 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 132.3 -152.77 20.31 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.468 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 90.47 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.636 2.224 . . . . 0.0 112.404 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.9 t -122.38 135.47 62.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' SER . 24.8 t -86.63 137.14 32.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -33.36 -35.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' SER . 2.3 m -74.34 -51.34 15.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' SER . . . -60.09 -45.17 93.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.195 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 29' ' ' GLU . . . -50.0 -70.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.596 ' HG2' HG21 ' A' ' 62' ' ' VAL . 7.3 mt-10 -37.6 -47.52 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.11 -48.67 80.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.21 -45.97 91.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.596 ' HG ' HD23 ' A' ' 41' ' ' LEU . 4.2 mt -58.46 -42.91 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.3 t -43.0 -45.02 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.6 m -69.97 -48.79 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.783 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.521 HD12 HD23 ' A' ' 32' ' ' LEU . 42.1 mt -45.1 158.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.4 pt -45.5 169.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.186 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -82.21 43.73 0.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.73 66.18 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.449 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.4 p -131.71 148.6 52.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.382 . . . . 0.0 110.897 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.625 ' CG ' HD22 ' A' ' 104' ' ' LEU . 3.6 p90 -121.48 128.86 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.596 HD23 ' HG ' ' A' ' 32' ' ' LEU . 1.5 pp -126.34 156.97 39.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.721 HG22 HG12 ' A' ' 54' ' ' ILE . 80.8 t -122.04 106.12 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.4 ptt85 -94.41 179.46 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -140.44 164.7 29.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -108.25 136.29 48.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' SER . 19.5 mt-10 -82.13 -62.25 1.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' GLU . 7.2 t -34.59 -63.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.7 m -99.35 127.6 34.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.605 0.717 . . . . 0.0 110.836 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 162.43 42.11 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.48 42.62 26.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.454 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -123.14 92.48 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.533 ' CB ' HD13 ' A' ' 67' ' ' ILE . 17.7 mt -102.55 169.84 8.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.2 m -159.65 138.02 10.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.721 HG12 HG22 ' A' ' 42' ' ' VAL . 63.9 mt -101.66 86.94 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.0 m -83.81 96.71 8.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.766 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.089 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -108.04 137.77 45.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.939 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.812 ' HD3' HG22 ' A' ' 62' ' ' VAL . 6.4 mmm180 -96.44 139.1 33.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 60' ' ' GLY . 35.9 t80 -153.49 157.66 40.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' TYR . 19.1 mt-10 -34.47 93.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 146.56 -105.15 0.32 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.524 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.17 172.47 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.812 HG22 ' HD3' ' A' ' 57' ' ' ARG . 66.6 t -69.26 122.52 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.84 ' CE2' HG21 ' A' ' 101' ' ' VAL . 11.4 m-85 -109.36 144.4 37.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -130.08 165.62 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -144.23 118.96 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' NE ' ' OD1' ' A' ' 68' ' ' ASN . 3.9 tmm_? -79.1 120.08 23.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.578 ' HA ' HG12 ' A' ' 77' ' ' VAL . 5.1 mp -77.05 128.2 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.43 ' OD1' ' NE ' ' A' ' 66' ' ' ARG . 48.1 m-20 -121.75 160.69 24.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.06 177.93 4.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 71' ' ' ALA . 72.4 p -118.15 -75.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.418 ' N ' ' OG1' ' A' ' 70' ' ' THR . . . -124.65 -74.54 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.36 -60.59 2.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -176.61 34.6 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -86.81 111.17 20.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.386 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 m -77.11 146.99 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 7.9 p90 -165.74 113.94 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.723 HG13 HD11 ' A' ' 89' ' ' LEU . 34.5 m -99.55 75.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 t -176.21 169.22 2.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.84 29.29 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -133.78 -40.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.9 p -132.35 -175.7 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -142.71 163.78 31.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -136.65 159.36 42.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.823 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.2 m -72.47 -65.41 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.9 p -125.53 174.16 8.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' ALA . 12.9 tp -60.32 -54.49 45.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -33.81 -48.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -74.8 -42.48 58.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.723 HD11 HG13 ' A' ' 77' ' ' VAL . 4.2 tt -51.27 -41.7 60.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.579 HG13 HD13 ' A' ' 104' ' ' LEU . 57.8 t -82.65 -53.35 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 94' ' ' SER . 63.3 t60 -58.15 -64.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.77 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 91' ' ' HIS . 4.0 t60 -36.98 -55.12 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 95' ' ' THR . 11.3 m170 -60.6 -34.9 74.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.812 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 91' ' ' HIS . 7.6 t -36.34 -33.86 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 93' ' ' HIS . 63.6 m -80.83 -53.89 6.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.662 HG22 ' H ' ' A' ' 98' ' ' ASP . 14.4 p -122.67 144.6 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.649 ' HB2' ' N ' ' A' ' 103' ' ' THR . . . -86.7 15.46 5.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.662 ' H ' HG22 ' A' ' 96' ' ' VAL . 6.0 t0 -40.87 91.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 96.23 29.68 8.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' ALA . 82.6 mt -146.01 174.2 11.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 1.089 ' CG1' HD21 ' A' ' 56' ' ' LEU . 7.4 p -72.39 -38.13 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.406 HG22 HG13 ' A' ' 101' ' ' VAL . 10.6 t -172.2 138.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.649 ' N ' ' HB2' ' A' ' 97' ' ' ALA . 21.6 p -42.35 126.15 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.625 HD22 ' CG ' ' A' ' 40' ' ' PHE . 71.8 mt -56.69 96.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -65.56 -71.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -125.58 132.61 24.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.5 ' HB2' ' N ' ' A' ' 18' ' ' TRP . 52.5 Cg_endo -69.8 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.655 2.236 . . . . 0.0 112.345 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -156.46 135.51 7.88 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.659 0.742 . . . . 0.0 111.137 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -173.17 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.65 2.234 . . . . 0.0 112.309 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -98.92 148.44 23.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 31.3 p -78.58 47.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -102.05 -60.38 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -74.28 -25.18 59.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.7 m -71.53 125.42 27.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 145.3 143.85 4.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.547 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 173.73 10.51 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.4 p -79.53 82.13 5.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.6 m -151.23 174.39 13.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.451 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 16' ' ' HIS . 3.5 mmmm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.827 0.346 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 15' ' ' LYS . 36.6 m-70 -34.51 142.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 50.2 m -68.44 -47.52 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.453 ' N ' ' HB2' ' A' ' 107' ' ' PRO . 1.3 p-90 -66.19 -43.22 87.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.439 ' CB ' ' HB2' ' A' ' 16' ' ' HIS . 28.0 t80 -58.31 125.33 22.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -131.71 40.28 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 41.93 -153.33 0.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.552 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 122.59 9.27 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 27' ' ' ALA . 97.8 t -140.44 127.16 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.16 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -57.63 140.72 50.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 25' ' ' ARG . 6.2 tmm_? -40.68 -50.11 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.3 t -62.69 -49.65 74.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.5 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . . . -44.05 -45.43 8.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.79 -59.53 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.693 ' HG2' HG21 ' A' ' 62' ' ' VAL . 34.9 mt-10 -51.61 -49.62 61.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -57.88 -65.49 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 tt -42.59 -45.76 4.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 mt -51.33 -37.38 47.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.6 t -56.83 -25.56 56.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.3 t -90.67 35.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.795 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.5 mt -151.74 173.82 14.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.935 HD11 ' CD2' ' A' ' 106' ' ' TYR . 49.2 pt -70.39 176.73 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -84.66 43.65 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.36 39.53 0.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -110.96 142.5 42.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.771 ' CG ' HD22 ' A' ' 104' ' ' LEU . 2.8 p90 -131.87 127.8 37.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 pp -124.05 160.54 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.1 t -120.8 103.09 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.4 ptt85 -93.76 160.93 14.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -131.48 128.21 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -79.96 153.03 29.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -91.65 -53.71 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.6 m -40.62 -70.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.1 t -67.37 140.56 95.21 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.645 0.735 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 108.93 2.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.13 65.52 3.46 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.517 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.24 105.1 13.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.6 mt -97.54 168.94 10.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.9 t -168.81 136.33 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.7 mt -103.36 107.29 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -114.31 103.24 10.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.899 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.3 OUTLIER -105.82 135.67 46.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.894 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' N ' HD12 ' A' ' 56' ' ' LEU . 8.7 tpt180 -82.43 140.22 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.615 ' CD2' HG21 ' A' ' 102' ' ' THR . 4.5 t80 -161.6 128.13 3.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 4.7 tt0 50.16 40.45 21.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.45 38.29 93.39 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -145.01 149.36 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.353 . . . . 0.0 110.893 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.693 HG21 ' HG2' ' A' ' 29' ' ' GLU . 85.3 t -113.4 106.56 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.633 ' CE2' HG21 ' A' ' 101' ' ' VAL . 89.7 m-85 -86.47 115.99 24.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -88.76 137.71 32.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -131.19 82.18 2.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -61.93 104.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 67' ' ' ILE . 4.6 mp -57.67 126.57 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -85.17 175.41 8.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.6 m -140.47 135.09 31.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 75.8 p -92.42 165.54 13.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.81 -48.73 10.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.114 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -64.93 -62.99 1.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.77 43.39 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -103.99 164.71 11.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.443 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 17.3 m -123.67 135.83 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.428 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 11.5 p90 -167.8 123.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.704 ' O ' HG23 ' A' ' 77' ' ' VAL . 34.2 m -106.35 74.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -177.52 166.55 2.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.11 3.78 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -89.85 -45.58 9.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.35 -174.93 4.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -131.47 165.71 22.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -128.9 156.24 44.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.7 p -73.84 -62.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.8 p -122.43 176.08 6.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' LEU . 17.7 tp -63.43 -54.91 29.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.986 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -37.65 -46.45 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -68.91 -35.79 77.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.559 HD23 ' C ' ' A' ' 89' ' ' LEU . 7.4 tt -58.32 -48.35 80.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.823 HG13 HD13 ' A' ' 104' ' ' LEU . 93.7 t -79.54 -39.95 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -59.04 -61.82 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -53.66 -53.81 46.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 12.2 m-70 -52.82 -47.45 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' HIS . 35.6 t -35.44 -40.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.1 m -74.11 -59.02 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.5 p -125.34 136.97 59.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.47 71.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 t70 51.81 40.21 27.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.85 -49.83 0.87 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.44 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.3 mt -48.45 173.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.899 ' CG1' HD21 ' A' ' 56' ' ' LEU . 10.6 p -70.03 -32.22 50.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.615 HG21 ' CD2' ' A' ' 58' ' ' TYR . 64.0 p -159.01 -176.25 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.3 p -95.64 109.81 22.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.823 HD13 HG13 ' A' ' 90' ' ' VAL . 40.7 mt -47.02 101.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -110.76 -53.0 2.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.935 ' CD2' HD11 ' A' ' 36' ' ' ILE . 25.1 m-85 -104.66 93.04 5.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.713 0.768 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.76 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.554 0.693 . . . . 0.0 111.099 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.823 0.344 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -66.32 157.51 31.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -79.47 -44.89 20.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.756 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -66.58 -37.75 85.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -70.49 102.91 2.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -107.2 40.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 43.71 -156.85 0.16 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.543 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 121.42 8.1 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.761 2.307 . . . . 0.0 112.247 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -136.2 131.9 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.5 t -60.42 150.83 29.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -51.18 -66.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.0 p -44.44 -41.1 5.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.26 -57.95 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.22 -58.59 2.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.575 ' HG2' HG21 ' A' ' 62' ' ' VAL . 10.6 mt-10 -46.74 -56.33 6.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -55.77 -43.3 76.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.518 ' O ' HD13 ' A' ' 31' ' ' LEU . 1.4 tm? -59.73 -34.26 72.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 mt -70.77 -44.34 66.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 p -56.37 -27.29 55.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -87.68 34.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.1 mt -149.44 165.78 31.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.2 pt -52.34 177.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -85.25 44.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.25 51.06 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.559 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 m -116.86 148.23 41.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.901 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.81 ' CG ' HD22 ' A' ' 104' ' ' LEU . 8.4 p90 -127.46 148.48 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -144.28 153.23 41.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.485 ' N ' HD12 ' A' ' 41' ' ' LEU . 98.2 t -118.17 128.28 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.052 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 -122.86 -179.23 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -154.1 140.11 18.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.486 ' CB ' ' CD ' ' A' ' 51' ' ' GLN . 9.5 t -79.65 150.49 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -87.09 -56.68 3.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 m -79.85 60.39 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -160.86 156.26 21.25 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.59 0.71 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.2 Cg_endo -69.82 86.98 0.57 Allowed 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.679 2.253 . . . . 0.0 112.315 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' PRO . . . 34.68 52.12 0.8 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.486 ' CD ' ' CB ' ' A' ' 45' ' ' SER . 7.9 pt20 -75.8 167.3 22.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.525 ' C ' HD13 ' A' ' 67' ' ' ILE . 96.0 mt -156.41 143.03 18.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.8 m -149.23 142.48 25.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.472 HG12 HG22 ' A' ' 42' ' ' VAL . 68.0 mt -104.91 111.58 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 m -108.74 122.15 46.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.813 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -128.8 143.11 50.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.548 ' N ' HD12 ' A' ' 56' ' ' LEU . 22.5 tpp85 -83.68 111.48 19.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.771 ' HB2' HD11 ' A' ' 56' ' ' LEU . 47.6 t80 -126.09 111.83 15.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 63.95 39.22 8.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.89 -5.25 25.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.575 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -103.15 152.88 20.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.4 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.575 HG21 ' HG2' ' A' ' 29' ' ' GLU . 20.1 t -100.65 126.08 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.558 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 94.2 m-85 -115.95 124.38 50.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.944 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.438 ' ND1' ' C ' ' A' ' 64' ' ' HIS . 1.5 p80 -102.67 143.8 31.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.47 ' OH ' HG13 ' A' ' 101' ' ' VAL . 3.5 m-85 -134.99 103.99 5.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.559 ' O ' HG12 ' A' ' 77' ' ' VAL . 2.5 mmm180 -63.91 143.03 58.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.577 ' CG2' HG12 ' A' ' 75' ' ' VAL . 4.4 mp -95.14 119.74 43.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -88.08 127.0 35.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.2 m -103.44 145.91 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.9 p -102.89 173.09 6.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.84 -54.29 5.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -65.8 -66.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.04 46.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -98.49 130.14 45.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.905 0.384 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.577 HG12 ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -97.76 138.2 23.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.65 ' HA ' HD12 ' A' ' 89' ' ' LEU . 15.2 p90 -171.32 122.03 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 66' ' ' ARG . 21.3 m -98.6 76.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.086 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -174.55 172.03 3.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.424 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -125.96 29.43 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -128.31 -29.96 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 t -153.82 -175.6 5.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.4 mtm105 -135.21 173.66 11.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -137.35 144.29 42.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.492 ' OG ' HG23 ' A' ' 85' ' ' THR . 1.0 OUTLIER -50.34 -65.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.492 HG23 ' OG ' ' A' ' 84' ' ' SER . 29.2 p -142.17 171.4 14.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 tp -43.7 -52.24 6.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.958 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.34 -58.86 1.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.189 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.86 -38.57 91.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.68 HD23 ' N ' ' A' ' 90' ' ' VAL . 5.1 tt -55.37 -61.45 2.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.68 ' N ' HD23 ' A' ' 89' ' ' LEU . 95.8 t -65.87 -46.53 88.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -58.09 -66.45 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -44.82 -44.65 9.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.797 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -52.72 -39.88 62.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -40.63 -38.85 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.0 m -78.14 -60.82 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 p -123.5 142.87 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.32 -61.92 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.5 t0 47.81 51.16 14.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 138.02 -67.96 0.52 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 100' ' ' LEU . 7.5 mp -53.03 -178.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.368 . . . . 0.0 110.826 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.56 HG22 HD21 ' A' ' 56' ' ' LEU . 2.8 m -82.02 -28.33 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.111 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.2 t -161.53 154.54 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.8 p -58.15 125.77 24.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.232 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.81 HD22 ' CG ' ' A' ' 40' ' ' PHE . 70.8 mt -55.24 114.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -82.88 -60.04 2.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -139.57 135.24 16.74 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.795 0.807 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.414 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.77 -164.63 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.664 2.242 . . . . 0.0 112.307 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 121.638 0.732 . . . . 0.0 111.101 179.893 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.6 mttm . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.887 0.375 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.497 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 12.5 m-70 -41.76 147.44 0.2 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.9 t -72.95 -47.43 45.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.9 p-90 -59.29 -43.04 92.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -59.23 137.62 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -124.18 -51.83 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.93 -156.28 22.79 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 86.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.362 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.6 t -101.74 137.62 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.217 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.5 m -70.11 164.68 23.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -56.59 -66.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -56.88 -44.45 82.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.63 -53.67 17.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.9 -60.45 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.59 ' HG2' HG21 ' A' ' 62' ' ' VAL . 48.6 mt-10 -53.58 -52.57 59.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -42.9 -69.93 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -38.95 -52.0 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.008 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.3 mt -55.35 -43.82 75.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -43.37 -42.43 4.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.8 m -70.56 -47.59 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.795 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.3 mt -59.42 173.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.99 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.9 pt -84.47 -175.82 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' ND2' ' HA ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -67.47 -50.13 60.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.16 62.46 2.57 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.405 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -138.89 160.38 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.803 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.541 ' CE2' ' HB3' ' A' ' 104' ' ' LEU . 3.1 p90 -158.9 159.81 35.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 42' ' ' VAL . 1.2 pp -152.48 160.16 43.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.466 ' N ' HD12 ' A' ' 41' ' ' LEU . 21.8 t -128.48 104.58 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 -95.24 155.68 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -119.66 148.28 43.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -78.01 147.08 35.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -85.4 -70.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 61.3 p -73.88 -58.7 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -41.48 162.78 0.12 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.731 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -162.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.274 . . . . 0.0 112.251 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.68 65.08 1.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -112.2 86.95 2.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mp -84.07 167.66 16.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.6 t -162.08 142.02 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.437 HG12 HG22 ' A' ' 42' ' ' VAL . 17.4 mt -99.84 104.21 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.2 m -93.89 100.75 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.75 HD21 ' HB ' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -109.65 137.0 48.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.418 ' HG2' HG22 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -97.35 100.36 11.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.656 ' HB2' HD11 ' A' ' 56' ' ' LEU . 92.7 t80 -111.26 157.23 20.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -38.45 96.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 140.74 -98.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.451 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 60' ' ' GLY . 2.8 mpt_? -133.32 166.51 22.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.832 0.349 . . . . 0.0 110.832 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.59 HG21 ' HG2' ' A' ' 29' ' ' GLU . 46.3 t -75.75 122.72 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.867 ' CD2' HG21 ' A' ' 101' ' ' VAL . 9.4 m-85 -106.06 144.07 33.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -124.19 124.17 41.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.948 ' OH ' HG23 ' A' ' 101' ' ' VAL . 62.1 m-85 -100.28 101.29 12.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -67.49 105.2 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 67' ' ' ILE . 3.5 mp -56.36 133.63 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -92.35 154.18 18.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.825 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.4 m -136.96 131.79 33.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.2 p -91.56 -177.22 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.81 -55.57 32.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.73 -61.3 2.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.73 59.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -117.89 140.31 49.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.77 0.319 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.4 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 32.7 m -108.67 132.16 57.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.154 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.445 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 27.1 p90 -167.07 121.53 1.04 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.818 HG13 HD11 ' A' ' 89' ' ' LEU . 29.7 m -99.81 75.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.044 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -176.65 148.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.05 12.17 37.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -99.02 -46.81 5.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -142.79 177.43 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.909 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.445 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 38.8 mtm-85 -125.37 161.38 27.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.471 ' CD2' ' HA ' ' A' ' 89' ' ' LEU . 48.4 m-85 -125.82 169.24 12.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.4 m -98.81 -41.92 7.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.4 p -128.92 161.49 29.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.176 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 87' ' ' ALA . 29.4 tp -60.05 -53.55 56.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -35.79 -41.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -71.31 -47.41 56.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.818 HD11 HG13 ' A' ' 77' ' ' VAL . 1.6 tt -48.66 -35.82 14.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.635 ' O ' HD12 ' A' ' 104' ' ' LEU . 58.5 t -90.78 -44.85 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.498 ' O ' ' CB ' ' A' ' 94' ' ' SER . 7.3 t-160 -64.82 -60.71 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.808 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -39.15 -49.55 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.407 ' CE1' ' O ' ' A' ' 98' ' ' ASP . 65.4 m-70 -83.98 33.67 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 25.7 t -99.2 -12.81 20.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -103.89 -36.48 7.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.491 HG21 ' OD2' ' A' ' 98' ' ' ASP . 7.7 p -130.53 156.66 42.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -92.33 13.57 18.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.491 ' OD2' HG21 ' A' ' 96' ' ' VAL . 22.6 m-20 -54.82 83.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 128.17 -32.79 3.33 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.0 mt -107.58 173.56 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.342 . . . . 0.0 110.921 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.948 HG23 ' OH ' ' A' ' 65' ' ' TYR . 13.0 t -64.68 -50.85 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.6 t -140.94 161.81 36.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.475 HG22 ' CA ' ' A' ' 96' ' ' VAL . 0.9 OUTLIER -67.12 111.15 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.052 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 90' ' ' VAL . 51.6 mt -46.45 112.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.402 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 5.0 m170 -113.75 -60.63 1.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -104.29 93.89 6.23 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-O 121.663 0.744 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.493 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 54.2 Cg_endo -69.78 -31.57 20.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.347 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.643 0.735 . . . . 0.0 111.128 179.889 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 mttm . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.853 0.359 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -68.56 152.83 44.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.2 m -80.84 -33.89 34.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.451 ' CE3' HG21 ' A' ' 42' ' ' VAL . 7.7 p-90 -78.17 -33.19 50.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -68.23 88.73 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.01 -61.02 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.1 -101.98 1.68 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.386 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 82.86 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.249 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.6 t -120.56 131.14 73.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.0 t -80.54 152.63 28.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.77 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -42.46 -60.26 1.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.9 t -57.08 -54.69 43.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.49 -51.61 6.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.3 -58.28 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.524 ' HG2' HG21 ' A' ' 62' ' ' VAL . 35.0 mt-10 -64.27 -59.17 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -44.18 -63.83 0.8 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.18 -53.72 2.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' SER . 57.5 mt -51.54 -59.07 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' LEU . 23.1 t -35.29 -49.47 0.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.9 m -57.25 -47.58 81.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' LEU . 11.2 mt -59.71 -178.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.743 HD11 ' CD2' ' A' ' 106' ' ' TYR . 30.1 pt -75.72 170.03 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -79.14 52.47 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.834 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.53 39.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.504 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -112.66 158.44 20.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 7.8 p90 -131.31 155.49 47.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -145.56 159.97 42.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.564 ' N ' HD12 ' A' ' 41' ' ' LEU . 29.5 t -128.89 116.82 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -117.76 160.54 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HA ' HD23 ' A' ' 52' ' ' LEU . 4.7 tp10 -94.69 138.69 32.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.0 t -60.08 148.96 33.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.98 -45.53 49.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.5 p -47.16 -65.61 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.5 m -129.07 143.46 48.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.732 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.87 8.96 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -98.68 -46.36 2.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -61.01 157.71 14.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.458 ' CB ' HD13 ' A' ' 67' ' ' ILE . 24.3 mt -142.61 168.85 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.9 t -157.02 141.74 16.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.4 mt -102.93 98.34 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.185 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 m -93.68 97.95 10.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.988 HD21 HG12 ' A' ' 101' ' ' VAL . 0.6 OUTLIER -115.68 144.22 44.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.409 ' N ' HD12 ' A' ' 56' ' ' LEU . 15.6 tpp180 -93.77 142.72 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -167.55 128.91 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 51.9 43.2 30.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.94 36.17 92.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -140.04 152.25 46.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.524 HG21 ' HG2' ' A' ' 29' ' ' GLU . 25.2 t -116.55 101.27 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.875 ' CE2' HG21 ' A' ' 101' ' ' VAL . 99.2 m-85 -85.55 143.24 28.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.5 ' H ' ' CD2' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -126.43 109.95 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.838 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.532 ' CE2' HD23 ' A' ' 100' ' ' LEU . 28.4 m-85 -96.77 110.48 22.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -76.68 93.27 3.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.749 ' H ' HD12 ' A' ' 67' ' ' ILE . 5.4 mp -48.14 111.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.164 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -75.18 164.71 26.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.3 m -137.81 136.45 37.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.6 p -89.03 176.27 7.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.93 78.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.039 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.45 -53.61 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 135.85 53.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -116.66 150.96 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.8 m -114.03 139.7 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 5.8 p90 -173.06 122.45 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.739 ' O ' HG23 ' A' ' 77' ' ' VAL . 32.7 m -105.51 76.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 1.7 t -175.31 176.7 1.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -128.12 4.65 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -95.73 -33.67 12.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m -155.49 -175.04 5.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 27.9 mtm-85 -132.11 170.74 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -137.98 160.13 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.4 p -79.78 -61.94 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.7 p -120.24 175.04 6.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 89' ' ' LEU . 10.7 tp -67.31 -49.41 64.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.64 -43.77 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.205 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -75.49 -34.75 60.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.78 HD23 ' C ' ' A' ' 89' ' ' LEU . 1.5 tt -58.81 -46.41 87.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.53 ' N ' HD23 ' A' ' 89' ' ' LEU . 38.4 t -77.56 -47.42 26.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 94' ' ' SER . 51.4 t60 -56.01 -67.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 91' ' ' HIS . 8.2 t60 -36.61 -58.71 0.71 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 25.8 m-70 -49.9 -37.49 31.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' HIS . 12.0 t -43.34 -29.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.4 m -84.11 -54.07 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.0 p -132.69 136.57 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.432 ' N ' HG22 ' A' ' 103' ' ' THR . . . -56.71 -44.43 81.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 30.9 t70 61.07 25.99 15.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.4 4.23 27.05 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.532 HD23 ' CE2' ' A' ' 65' ' ' TYR . 17.9 mt -90.07 142.51 27.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.988 HG12 HD21 ' A' ' 56' ' ' LEU . 4.8 p -33.82 -36.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.042 0.448 . . . . 0.0 111.202 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.691 HG22 HG13 ' A' ' 101' ' ' VAL . 13.5 t -173.76 149.64 1.6 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.151 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 97' ' ' ALA . 4.7 p -61.7 134.16 56.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.575 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 4.6 mt -77.36 88.87 3.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -110.91 -16.68 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.743 ' CD2' HD11 ' A' ' 36' ' ' ILE . 69.6 m-85 -127.43 84.38 63.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.69 0.757 . . . . 0.0 110.886 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.533 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.84 -177.42 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.677 0.751 . . . . 0.0 111.045 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.855 0.36 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -73.53 158.38 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.9 m -83.89 -39.16 20.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -73.38 -27.94 61.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -75.68 111.72 11.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.496 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.2 m-70 -116.32 40.88 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 41.58 -157.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.524 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 93.9 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 20' ' ' HIS . 91.0 t -94.88 136.67 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' ARG . 47.6 t -66.68 136.12 55.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' SER . 16.7 ttt85 -36.71 -65.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.787 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.3 t -47.11 -50.01 20.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' TYR . . . -52.74 -52.94 54.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.089 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.11 -40.06 3.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.808 ' HG2' HG21 ' A' ' 62' ' ' VAL . 25.5 mt-10 -83.11 -21.99 33.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' ALA . 37.0 t80 -74.24 -54.25 8.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.85 -53.49 48.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.5 -36.43 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -60.31 -28.79 68.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.0 t -98.59 27.81 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.808 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.3 mt -141.82 161.23 38.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.796 HD12 ' H ' ' A' ' 38' ' ' GLY . 2.7 pp -49.2 162.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -80.56 50.7 1.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.796 ' H ' HD12 ' A' ' 36' ' ' ILE . . . -168.61 31.83 0.18 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.429 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -108.59 141.53 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.822 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 107' ' ' PRO . 4.6 p90 -121.27 155.66 34.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -148.86 157.86 43.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.625 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.3 t -127.27 108.13 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -103.77 178.58 4.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -132.14 121.37 23.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -56.28 135.92 53.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -83.54 165.77 18.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m 40.78 42.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.6 p -132.99 146.43 61.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.726 0.774 . . . . 0.0 110.783 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.8 87.58 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.236 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 43.63 55.91 5.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.46 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -111.59 123.34 50.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.493 ' HB2' HD12 ' A' ' 67' ' ' ILE . 7.0 mt -112.9 170.21 8.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.4 m -164.45 151.23 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.9 mt -114.38 126.97 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.076 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.1 m -119.98 113.05 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.797 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -120.69 144.39 48.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.544 ' N ' HD12 ' A' ' 56' ' ' LEU . 8.5 tpt180 -91.39 137.61 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 61' ' ' ARG . 23.2 t80 -156.15 147.65 22.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' TYR . 5.8 pt-20 35.82 41.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.87 42.83 99.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' TYR . 76.9 mtt180 -148.88 150.11 32.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.808 HG21 ' HG2' ' A' ' 29' ' ' GLU . 18.6 t -106.5 106.96 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.807 ' CE1' HG21 ' A' ' 101' ' ' VAL . 55.0 m-85 -85.85 155.41 20.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -127.5 144.55 51.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.56 ' OH ' HG12 ' A' ' 101' ' ' VAL . 58.0 m-85 -144.68 114.55 7.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -81.04 114.86 20.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.51 HD13 ' CD1' ' A' ' 86' ' ' LEU . 33.9 mt -68.44 109.62 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -71.85 -175.67 1.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.87 131.78 6.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 74' ' ' LYS . 9.2 t -134.6 -175.41 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 70' ' ' THR . . . -36.19 142.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 62.13 26.12 15.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.784 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 44.72 62.87 2.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.466 ' HB2' ' CG2' ' A' ' 70' ' ' THR . 38.3 mttm -99.11 122.07 41.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.5 m -94.37 137.01 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.784 ' HA ' HD12 ' A' ' 89' ' ' LEU . 12.0 p90 -174.49 121.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.606 ' O ' HG23 ' A' ' 77' ' ' VAL . 30.7 m -101.28 76.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -174.49 173.11 2.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -127.2 19.51 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.051 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -117.57 -29.24 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 78' ' ' THR . 1.7 t -153.01 171.36 18.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.544 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 94.1 mtm-85 -129.69 173.68 10.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -138.03 165.58 26.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.6 m -80.23 -60.46 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.1 p -131.22 -177.33 4.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.076 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.51 ' CD1' HD13 ' A' ' 67' ' ' ILE . 10.8 tp -64.38 -56.66 12.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.72 -42.23 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -75.48 -35.21 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.819 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 76' ' ' TYR . 7.0 tt -64.01 -48.49 76.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.46 ' O ' HD12 ' A' ' 104' ' ' LEU . 54.5 t -76.4 -29.12 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -70.97 -67.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -45.77 -51.03 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -46.61 -46.23 19.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -44.07 -42.7 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.3 m -71.24 -50.67 30.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.2 p -134.47 139.03 48.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.24 -63.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.5 t70 68.67 38.02 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 116.32 -32.89 5.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.12 158.59 10.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.807 HG21 ' CE1' ' A' ' 63' ' ' TYR . 4.3 p -56.38 -34.91 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.6 t -167.08 155.72 10.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -65.9 110.92 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.22 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 90' ' ' VAL . 24.9 mt -35.91 101.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -72.99 -71.07 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -130.37 134.47 26.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.668 0.747 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.49 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.83 -177.35 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.739 2.293 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 121.551 0.691 . . . . 0.0 111.139 179.865 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.824 0.345 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.457 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 23.1 m-70 -69.4 142.91 53.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.3 m -64.87 -46.76 80.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.788 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.606 ' HA ' ' HB3' ' A' ' 108' ' ' ALA . 6.2 p-90 -63.36 -41.0 98.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.05 102.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -89.9 -42.05 11.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.03 -112.82 4.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.401 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 89.78 0.52 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.735 2.29 . . . . 0.0 112.378 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 43' ' ' ARG . 81.9 t -135.35 121.52 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -72.86 174.38 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 26' ' ' SER . 39.8 ptt180 -69.01 -49.06 61.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 50.3 m -68.09 -38.68 82.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.76 -52.01 65.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . -54.96 -59.92 4.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -51.68 -44.65 63.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -59.25 -41.86 89.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -53.54 52.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.992 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' A' ' 35' ' ' LEU . 36.1 mt -45.83 -48.01 15.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.943 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 t -49.34 -43.73 43.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.5 t -65.05 -48.16 74.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 32' ' ' LEU . 32.5 mt -53.96 176.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.481 HD11 ' HD2' ' A' ' 106' ' ' TYR . 14.7 pt -68.23 178.42 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -83.34 39.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.55 73.28 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -146.97 150.89 36.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.939 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 104' ' ' LEU . 1.7 p90 -125.99 151.62 46.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 42' ' ' VAL . 1.6 pp -138.42 164.05 30.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.622 HG22 HG12 ' A' ' 54' ' ' ILE . 98.8 t -131.89 112.68 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.465 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . 31.4 ptt85 -109.71 177.07 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -115.52 130.87 57.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 48' ' ' SER . 59.3 m -70.88 124.24 23.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.79 -56.34 6.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 m -64.57 -34.91 79.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 45' ' ' SER . 24.1 m -97.51 102.94 14.19 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.653 0.739 . . . . 0.0 110.838 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 150.44 68.71 Favored 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.758 2.305 . . . . 0.0 112.318 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 52.69 21.77 10.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.465 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -120.09 137.56 54.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.35 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.536 HD13 HD22 ' A' ' 86' ' ' LEU . 21.1 mt -117.55 167.38 11.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.4 m -146.32 139.74 25.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.622 HG12 HG22 ' A' ' 42' ' ' VAL . 70.6 mt -108.2 88.67 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -84.39 104.28 14.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.019 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -114.76 124.73 52.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.423 ' CZ ' ' HA2' ' A' ' 60' ' ' GLY . 10.3 tpt85 -76.01 127.64 33.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.604 ' CD2' HG21 ' A' ' 102' ' ' THR . 42.5 t80 -164.23 136.26 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.501 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 4.8 mm-40 62.18 29.52 17.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.423 ' HA2' ' CZ ' ' A' ' 57' ' ' ARG . . . 87.32 -75.34 2.16 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -57.78 144.29 38.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.16 125.61 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.871 ' CE2' HG21 ' A' ' 101' ' ' VAL . 26.5 m-85 -101.24 144.41 30.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 65' ' ' TYR . 1.9 p-80 -124.83 174.99 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 64' ' ' HIS . 95.4 m-85 -160.84 105.4 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -76.65 94.32 3.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.658 ' H ' HD12 ' A' ' 67' ' ' ILE . 3.6 mp -44.02 140.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -97.6 -177.46 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.4 m -157.54 138.99 13.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.7 p -100.44 174.98 5.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.206 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.39 -50.72 9.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.3 -59.53 3.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.2 44.31 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -99.67 122.1 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 34.3 m -89.98 136.42 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.073 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.507 ' HA ' HD12 ' A' ' 89' ' ' LEU . 9.9 p90 -172.38 120.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 77' ' ' VAL . 35.6 m -98.19 76.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 t -175.03 170.78 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.15 9.61 9.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.186 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -101.84 -43.64 5.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -142.36 -175.08 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.768 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.411 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 78.3 mtm180 -132.26 178.16 7.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.773 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -145.89 151.7 38.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.61 ' OG ' HG23 ' A' ' 85' ' ' THR . 1.1 t -63.45 -64.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.803 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.61 HG23 ' OG ' ' A' ' 84' ' ' SER . 14.4 p -135.08 179.07 6.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.536 HD22 HD13 ' A' ' 52' ' ' LEU . 11.6 tp -54.28 -56.54 17.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -34.17 -47.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -78.27 -38.6 42.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 89' ' ' LEU . 6.8 tt -53.63 -38.47 64.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.623 HG13 ' CD1' ' A' ' 104' ' ' LEU . 96.3 t -89.43 -59.95 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -46.92 -49.53 20.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -61.14 -56.94 14.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -51.62 -31.69 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 t -53.76 -16.29 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 m -92.98 -37.48 12.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.563 HG22 ' H ' ' A' ' 98' ' ' ASP . 14.7 p -139.66 143.75 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -79.77 12.73 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.563 ' H ' HG22 ' A' ' 96' ' ' VAL . 3.9 t0 -37.46 93.15 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 80.8 39.7 13.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 97' ' ' ALA . 28.2 mt -149.86 163.74 37.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.858 0.361 . . . . 0.0 110.982 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 1.019 ' CG1' HD21 ' A' ' 56' ' ' LEU . 5.8 p -64.69 -40.49 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.604 HG21 ' CD2' ' A' ' 58' ' ' TYR . 4.9 t -165.69 155.58 12.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 105' ' ' HIS . 5.8 p -61.03 109.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.094 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.623 ' CD1' HG13 ' A' ' 90' ' ' VAL . 49.4 mt -38.39 92.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 103' ' ' THR . 15.4 m170 -59.58 -69.6 0.2 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.481 ' HD2' HD11 ' A' ' 36' ' ' ILE . 29.3 m-85 -132.52 135.08 25.61 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.71 0.767 . . . . 0.0 110.903 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.439 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.72 -178.95 2.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.755 2.303 . . . . 0.0 112.347 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.606 ' HB3' ' HA ' ' A' ' 18' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 111.066 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.853 0.359 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -94.24 163.47 13.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.705 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 5.1 m -86.61 -37.89 17.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.466 ' CA ' ' HB2' ' A' ' 107' ' ' PRO . 1.1 p-90 -78.88 -38.87 36.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -63.14 140.53 58.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -121.77 -33.36 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.28 -147.46 18.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 85.52 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.632 2.221 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.27 149.24 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 27' ' ' ALA . 13.1 t -102.37 143.37 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -38.76 -46.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.814 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 t -65.44 -40.61 93.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.789 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 24' ' ' SER . . . -68.43 -61.82 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.435 ' HB3' HH11 ' A' ' 43' ' ' ARG . . . -40.61 -54.99 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -53.86 -41.82 67.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' SER . 2.5 t80 -64.93 -60.35 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.446 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -41.73 -45.76 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.985 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.597 ' CD1' HD23 ' A' ' 41' ' ' LEU . 20.5 mt -77.46 -25.62 50.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.922 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' TYR . 37.2 t -73.47 1.91 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.6 m -121.11 27.22 8.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.7 mt -136.41 -177.35 4.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.647 HD11 ' CD2' ' A' ' 106' ' ' TYR . 24.2 pt -69.42 -178.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -93.29 39.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.55 52.77 0.42 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.393 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.4 m -135.99 158.32 44.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 104' ' ' LEU . 7.0 p90 -141.11 161.35 38.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -149.69 156.27 41.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.635 ' N ' HD12 ' A' ' 41' ' ' LEU . 92.4 t -122.89 102.58 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.435 HH11 ' HB3' ' A' ' 28' ' ' ALA . 23.8 ptt180 -96.97 172.14 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.548 ' HG3' HD23 ' A' ' 52' ' ' LEU . 33.2 tt0 -111.28 122.87 48.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.8 t -39.2 142.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -91.4 -57.94 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.7 t -54.59 -55.64 27.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.799 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 t -94.34 115.96 65.85 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.689 0.757 . . . . 0.0 110.829 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 125.51 12.25 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.676 2.25 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.18 -38.73 3.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -55.73 156.49 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.852 ' HB2' HD12 ' A' ' 67' ' ' ILE . 8.3 mt -137.51 168.7 19.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 m -162.48 146.14 11.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.426 HD11 HD21 ' A' ' 89' ' ' LEU . 20.0 mt -102.28 99.08 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.9 m -91.59 102.45 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.694 HD21 ' HB ' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -104.82 138.42 41.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -96.51 104.45 16.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.674 ' HB2' HD11 ' A' ' 56' ' ' LEU . 89.8 t80 -116.96 157.01 26.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' TYR . 22.8 mt-10 -38.08 95.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.826 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 140.38 -99.56 0.25 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.541 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -131.69 167.67 19.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.2 t -74.33 123.11 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.654 ' CD2' HG21 ' A' ' 101' ' ' VAL . 12.5 m-85 -109.29 121.51 45.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -101.14 142.29 32.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.893 ' OH ' HG23 ' A' ' 101' ' ' VAL . 89.5 m-85 -120.17 89.48 3.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -47.43 141.68 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.852 HD12 ' HB2' ' A' ' 52' ' ' LEU . 64.7 mt -102.0 124.02 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -86.03 -174.98 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.5 m -155.99 138.53 14.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.7 p -89.46 175.0 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.67 -51.73 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.039 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.97 -69.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.826 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 163.98 45.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.535 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -101.35 124.49 47.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.382 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.2 m -97.74 146.24 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 13.6 p90 -174.74 120.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 77' ' ' VAL . 32.8 m -96.5 76.34 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -175.12 169.46 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.413 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -123.67 27.31 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -126.92 -41.15 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -135.98 -175.71 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.579 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 43.3 mtm-85 -139.87 176.36 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -141.73 173.47 11.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.1 p -91.45 -63.08 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.8 p -122.73 172.59 8.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.43 -47.8 82.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 91' ' ' HIS . . . -44.76 -43.2 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -74.42 -35.16 63.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.79 HD23 ' C ' ' A' ' 89' ' ' LEU . 1.6 tt -59.74 -49.23 78.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.577 ' N ' HD23 ' A' ' 89' ' ' LEU . 47.4 t -79.69 -33.69 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.4 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 45.7 t60 -65.48 -59.06 4.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -51.53 -51.19 57.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.47 ' CD2' HD11 ' A' ' 100' ' ' LEU . 12.8 m-70 -52.26 -33.29 41.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 t -52.24 -28.27 18.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.2 m -83.55 -47.01 11.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.059 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 98' ' ' ASP . 7.8 p -141.4 144.22 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -51.55 -47.17 63.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.42 ' HB3' ' CE1' ' A' ' 93' ' ' HIS . 31.4 t70 52.6 33.56 13.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.814 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.27 41.52 2.05 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 93' ' ' HIS . 69.4 mt -140.59 149.67 42.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 0.0 110.897 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.893 HG23 ' OH ' ' A' ' 65' ' ' TYR . 44.4 t -36.69 -45.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.9 t -174.69 143.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 p -43.18 158.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 10.3 mt -91.23 124.15 35.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -106.12 -66.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.647 ' CD2' HD11 ' A' ' 36' ' ' ILE . 15.3 m-85 -109.06 108.58 60.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.641 0.734 . . . . 0.0 110.964 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.501 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.3 Cg_endo -69.82 -38.59 7.45 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.687 2.258 . . . . 0.0 112.407 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.094 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 mttm . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.73 0.3 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -45.32 164.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -97.72 -25.06 15.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.789 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.48 ' CD2' HG11 ' A' ' 90' ' ' VAL . 2.2 p-90 -89.25 -29.96 18.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -78.4 110.46 13.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.952 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -103.78 -44.25 5.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.812 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.56 -108.08 3.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 95.53 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.383 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.406 ' O ' ' CZ ' ' A' ' 43' ' ' ARG . 59.8 t -130.24 123.68 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.7 m -66.75 143.82 56.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -43.42 -45.58 6.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.5 m -69.0 -61.28 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.64 -41.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.34 -62.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.075 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.817 ' HG2' HG21 ' A' ' 62' ' ' VAL . 32.4 mt-10 -57.08 -49.88 74.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -51.78 -61.29 2.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.433 ' CD2' HD11 ' A' ' 35' ' ' LEU . 2.4 tt -41.22 -43.54 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.453 HD21 HD23 ' A' ' 41' ' ' LEU . 69.9 mt -69.29 -58.67 3.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.5 p -42.24 -49.64 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.7 m -62.53 -49.77 74.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.433 HD11 ' CD2' ' A' ' 31' ' ' LEU . 37.7 mt -55.25 171.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.619 HD11 ' HD2' ' A' ' 106' ' ' TYR . 7.9 pt -56.07 179.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -86.33 43.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.64 73.07 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.6 m -145.19 142.14 29.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 107' ' ' PRO . 4.0 p90 -121.76 157.94 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.61 ' CB ' ' HB2' ' A' ' 108' ' ' ALA . 0.7 OUTLIER -152.11 156.17 39.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.544 ' N ' HD12 ' A' ' 41' ' ' LEU . 71.5 t -124.0 122.13 63.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' CZ ' ' O ' ' A' ' 23' ' ' VAL . 6.4 ptm180 -124.34 179.42 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -116.89 152.69 33.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 m -100.96 124.65 46.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -63.72 -46.69 84.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.5 t -34.09 -50.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -122.9 130.06 24.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.703 0.763 . . . . 0.0 110.804 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 8.7 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.729 2.286 . . . . 0.0 112.323 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.0 40.82 0.65 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.435 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -128.45 89.95 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.357 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.774 ' HB3' HD12 ' A' ' 67' ' ' ILE . 4.4 mm? -83.32 170.34 14.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.2 m -163.21 146.21 10.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.917 HD11 HD21 ' A' ' 89' ' ' LEU . 19.3 mt -105.03 101.56 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 m -94.23 96.74 9.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.847 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -110.8 130.66 55.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -79.78 134.84 36.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.787 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.481 ' CE2' ' HG3' ' A' ' 59' ' ' GLU . 74.8 t80 -157.95 123.64 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.481 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 8.1 mt-10 62.9 35.11 13.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.3 39.65 87.72 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.431 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -152.71 147.66 26.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.817 HG21 ' HG2' ' A' ' 29' ' ' GLU . 15.2 t -100.54 114.55 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.826 ' CE2' HG21 ' A' ' 101' ' ' VAL . 55.3 m-85 -101.53 120.86 40.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -102.87 140.68 36.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.805 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.515 ' OH ' HG12 ' A' ' 101' ' ' VAL . 80.4 m-85 -127.77 100.03 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -55.21 114.66 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 52' ' ' LEU . 17.5 mt -69.49 116.36 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -83.8 178.86 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.2 m -152.67 135.23 15.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 p -93.0 -174.9 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -42.99 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -47.91 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.77 30.92 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.56 135.3 35.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.479 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 21.0 m -106.63 134.53 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.529 ' HA ' HD12 ' A' ' 89' ' ' LEU . 11.0 p90 -163.54 125.19 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.925 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.752 ' O ' HG23 ' A' ' 77' ' ' VAL . 29.1 m -105.01 75.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 81' ' ' SER . 1.3 t -175.21 169.32 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -120.06 22.34 11.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -114.78 -33.56 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 78' ' ' THR . 1.6 t -159.34 173.32 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.441 ' HG2' ' CD1' ' A' ' 76' ' ' TYR . 99.2 mtt180 -121.02 175.1 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -139.64 130.04 25.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.5 m -53.22 -54.5 35.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.3 p -126.04 171.98 10.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.197 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.9 tp -64.69 -38.84 92.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.55 -37.39 57.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.062 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 33.2 mt-10 -79.82 -21.7 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.917 HD21 HD11 ' A' ' 54' ' ' ILE . 1.2 tt -72.22 -40.81 67.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.597 HG13 HD13 ' A' ' 104' ' ' LEU . 97.9 t -90.36 -35.29 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -70.45 -35.89 73.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 51.1 t60 -77.97 -40.71 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -67.93 -26.32 65.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.2 p -59.9 -25.11 64.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 53.0 m -86.02 -50.82 6.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.512 ' C ' HG22 ' A' ' 103' ' ' THR . 11.7 p -134.21 145.13 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.35 -56.22 15.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 t70 60.42 44.05 12.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 109.97 -28.99 9.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.503 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 100' ' ' LEU . 15.6 mt -63.83 158.37 22.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.847 ' CG1' HD21 ' A' ' 56' ' ' LEU . 7.6 p -54.12 -37.28 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.165 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.5 t -173.27 149.57 1.78 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.084 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.512 HG22 ' C ' ' A' ' 96' ' ' VAL . 4.4 p -60.52 153.92 22.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.597 HD13 HG13 ' A' ' 90' ' ' VAL . 6.7 mt -89.66 135.69 33.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.424 ' ND1' ' N ' ' A' ' 105' ' ' HIS . 1.1 p-80 -130.36 -62.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.619 ' HD2' HD11 ' A' ' 36' ' ' ILE . 1.4 m-30 -110.83 99.81 43.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.711 0.767 . . . . 0.0 110.929 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.74 -178.38 2.31 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.61 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 111.108 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.6 mttp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -65.77 160.32 23.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.549 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 36.8 m -89.59 -43.92 10.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.832 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.5 p-90 -61.98 -41.53 98.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -64.91 126.1 26.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -115.7 -41.48 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 22' ' ' PRO . . . 111.9 -127.46 8.12 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.513 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.41 ' HD2' ' HA3' ' A' ' 21' ' ' GLY . 53.6 Cg_endo -69.77 104.51 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.661 2.241 . . . . 0.0 112.299 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.6 t -139.75 137.08 39.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.7 m -73.18 169.38 17.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.783 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.6 ptt-85 -72.06 -40.01 68.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.9 p -76.24 -38.79 55.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.41 -46.51 82.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.613 ' O ' HD12 ' A' ' 32' ' ' LEU . . . -58.19 -22.9 53.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HA ' HG21 ' A' ' 62' ' ' VAL . 58.7 mt-10 -83.38 -43.06 16.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -76.36 -57.45 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.484 HD23 ' HG ' ' A' ' 35' ' ' LEU . 2.3 tt -41.11 -58.73 1.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 28' ' ' ALA . 82.0 mt -45.37 -50.18 12.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 p -66.13 -30.43 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -71.89 -36.18 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.484 ' HG ' HD23 ' A' ' 31' ' ' LEU . 64.8 mt -59.95 -75.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.627 ' CD1' ' CD2' ' A' ' 106' ' ' TYR . 6.6 pt -137.19 -175.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.13 -46.18 61.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.966 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.73 95.89 0.15 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.571 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.37 160.39 17.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.909 0.385 . . . . 0.0 110.779 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.701 ' CG ' HD22 ' A' ' 104' ' ' LEU . 3.1 p90 -121.55 134.25 55.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.648 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -134.46 151.37 51.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.576 ' N ' HD12 ' A' ' 41' ' ' LEU . 88.6 t -111.31 108.37 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -92.84 173.43 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -129.06 113.83 15.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.4 p -48.08 145.41 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.65 -75.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 t -79.3 62.97 3.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -168.45 163.13 8.52 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.658 0.742 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -162.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.688 2.259 . . . . 0.0 112.308 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.64 65.73 0.81 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -107.09 97.53 7.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.775 ' HB3' HD12 ' A' ' 67' ' ' ILE . 16.9 mt -85.04 157.34 20.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -152.78 151.54 30.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.623 HD11 HD21 ' A' ' 89' ' ' LEU . 37.9 mt -111.86 99.42 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.229 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.0 m -90.98 104.06 16.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.075 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -116.01 137.0 52.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.62 115.35 27.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.5 ' CG ' HG21 ' A' ' 102' ' ' THR . 34.7 t80 -147.22 140.8 25.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 59.56 45.35 13.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.73 38.18 71.77 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.0 mtm-85 -155.19 150.95 27.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.457 ' O ' HG12 ' A' ' 62' ' ' VAL . 21.8 t -107.94 96.98 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 1.123 ' CE2' HG21 ' A' ' 101' ' ' VAL . 53.5 m-85 -79.86 162.88 24.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.508 ' O ' ' CG ' ' A' ' 65' ' ' TYR . 1.7 p-80 -133.33 170.25 15.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.76 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.619 ' OH ' HG12 ' A' ' 101' ' ' VAL . 70.1 m-85 -160.78 110.16 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -72.96 114.15 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.833 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.775 HD12 ' HB3' ' A' ' 52' ' ' LEU . 58.0 mt -71.71 120.37 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -82.64 172.04 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.9 m -149.9 136.12 18.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.6 p -93.5 176.71 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.186 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.13 -55.16 8.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -63.95 -60.06 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 146.72 43.75 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.456 ' CD ' ' HA ' ' A' ' 84' ' ' SER . 34.0 mmtm -97.04 122.58 40.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.7 133.79 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 13.1 p90 -168.68 119.81 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 77' ' ' VAL . 35.3 m -98.88 76.5 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -174.99 171.89 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.45 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -125.45 28.37 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -131.12 -34.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.973 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.5 m -141.11 176.71 8.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.567 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 40.2 mtm-85 -138.94 175.0 9.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -141.17 160.03 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.456 ' HA ' ' CD ' ' A' ' 74' ' ' LYS . 29.6 m -80.33 -63.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.4 p -120.62 178.85 4.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.137 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.409 ' CD1' HD13 ' A' ' 67' ' ' ILE . 13.5 tp -71.93 -43.22 65.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.79 -24.43 2.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -92.24 -33.52 14.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.623 HD21 HD11 ' A' ' 54' ' ' ILE . 4.2 tt -62.27 -40.02 94.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.734 HG13 ' CD1' ' A' ' 104' ' ' LEU . 72.9 t -86.96 -37.24 11.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -66.94 -33.12 74.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -79.47 -57.75 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.514 ' CG ' ' CD1' ' A' ' 100' ' ' LEU . 22.5 m-70 -48.96 -31.15 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.3 p -54.28 -35.83 62.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.6 m -76.05 -54.03 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.531 ' C ' HG22 ' A' ' 103' ' ' THR . 7.7 p -131.77 140.78 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.532 ' N ' HG22 ' A' ' 103' ' ' THR . . . -48.28 -54.05 15.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.4 t0 56.31 32.49 20.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 105.25 31.99 4.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.514 ' CD1' ' CG ' ' A' ' 93' ' ' HIS . 41.6 mt -129.45 142.72 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 1.123 HG21 ' CE2' ' A' ' 63' ' ' TYR . 4.9 p -35.15 -41.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.5 HG21 ' CG ' ' A' ' 58' ' ' TYR . 14.7 t -173.99 142.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.532 HG22 ' N ' ' A' ' 97' ' ' ALA . 41.0 p -49.79 121.89 5.83 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.216 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.734 ' CD1' HG13 ' A' ' 90' ' ' VAL . 56.7 mt -42.57 111.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -75.25 -73.73 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.627 ' CD2' ' CD1' ' A' ' 36' ' ' ILE . 54.9 m-85 -123.77 120.98 26.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.642 0.734 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.527 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.78 -50.36 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 121.635 0.731 . . . . 0.0 111.051 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 69.1 m-70 -47.92 159.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.1 m -85.4 -41.88 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.8 p-90 -63.11 -46.26 88.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -49.3 119.41 3.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.969 0.414 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -101.29 -43.12 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.831 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.75 -148.67 18.64 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.433 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 100.7 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.395 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -132.41 135.61 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.8 p -86.6 162.01 18.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.6 mtm180 -48.18 -62.04 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.6 m -51.06 -64.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.3 -56.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.96 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.61 -59.31 3.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.061 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -45.5 -47.7 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 31' ' ' LEU . 8.0 t80 -63.55 -64.29 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.457 ' N ' ' CD1' ' A' ' 30' ' ' TYR . 12.4 mt -41.71 -53.54 3.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.896 HD21 HD23 ' A' ' 41' ' ' LEU . 15.2 mt -60.73 -36.7 79.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.8 t -52.73 -50.5 63.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.8 m -68.4 -45.29 73.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.6 mt -52.81 170.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.454 HD11 ' HD2' ' A' ' 106' ' ' TYR . 19.3 pt -64.44 176.96 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' CG ' ' N ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -75.31 -48.61 22.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.445 ' N ' ' CG ' ' A' ' 37' ' ' ASN . . . -83.03 58.13 5.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.6 p -126.47 134.14 51.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.756 ' CG ' HD22 ' A' ' 104' ' ' LEU . 3.1 p90 -130.88 134.16 46.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.896 HD23 HD21 ' A' ' 32' ' ' LEU . 2.3 pp -131.02 155.84 46.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.423 HG22 HG12 ' A' ' 54' ' ' ILE . 59.4 t -115.19 102.62 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.7 ptt85 -97.69 176.9 5.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -115.46 143.5 45.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 m -74.11 151.69 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.9 -32.67 13.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.1 t -44.31 -57.67 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.794 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.0 m -138.63 143.98 40.25 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.7 0.762 . . . . 0.0 110.781 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 150.13 67.64 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.3 -46.61 2.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -57.7 145.34 34.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.984 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' C ' HD13 ' A' ' 67' ' ' ILE . 9.6 mt -135.25 165.73 24.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m -151.65 160.15 43.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.423 HG12 HG22 ' A' ' 42' ' ' VAL . 87.9 mt -119.09 106.88 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.6 m -108.31 119.52 39.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.8 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.048 HD21 HG12 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -131.3 138.79 49.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.456 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.8 mmt180 -89.29 141.35 28.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -170.19 119.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.98 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 74.92 27.12 1.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.93 38.41 64.72 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.401 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -146.79 152.55 38.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.82 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.94 108.44 24.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.714 ' CE2' HG21 ' A' ' 101' ' ' VAL . 32.1 m-85 -102.79 117.6 34.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -107.14 141.3 38.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.413 ' CE1' ' HB3' ' A' ' 63' ' ' TYR . 2.3 m-85 -135.48 106.16 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.584 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -65.45 169.78 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.807 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.456 HD13 ' C ' ' A' ' 52' ' ' LEU . 4.5 mp -108.24 125.03 64.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.462 ' OD1' ' NE ' ' A' ' 66' ' ' ARG . 81.4 m-20 -90.67 132.42 35.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.6 m -108.67 140.52 41.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' ALA . 62.2 p -98.65 165.37 11.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' THR . . . -34.12 -66.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.138 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.07 -60.61 3.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.38 70.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' CD ' ' HA ' ' A' ' 84' ' ' SER . 30.2 mmtm -122.39 122.47 39.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.315 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.0 m -91.11 133.75 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.64 ' HA ' HD12 ' A' ' 89' ' ' LEU . 30.5 p90 -168.69 131.11 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.941 HG13 HD11 ' A' ' 89' ' ' LEU . 28.5 m -107.17 74.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 81' ' ' SER . 1.4 t -177.53 133.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.78 4.0 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -92.06 -47.89 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.446 ' O ' HG23 ' A' ' 78' ' ' THR . 9.8 m -140.33 -175.02 4.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.532 ' HG2' ' CZ ' ' A' ' 76' ' ' TYR . 77.6 mtm180 -132.72 173.39 11.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.832 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 89' ' ' LEU . 56.3 m-85 -137.07 -178.16 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.423 ' HA ' ' CD ' ' A' ' 74' ' ' LYS . 19.4 m -104.19 -52.43 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.2 p -123.65 179.94 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.1 tp -74.25 -34.44 63.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.92 79.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -75.11 -42.14 57.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.941 HD11 HG13 ' A' ' 77' ' ' VAL . 1.3 tt -53.22 -51.21 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.596 ' N ' HD23 ' A' ' 89' ' ' LEU . 57.7 t -74.42 -50.94 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.172 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' A' ' 94' ' ' SER . 79.0 t60 -53.06 -63.09 1.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -38.46 -67.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.557 ' CG ' HD22 ' A' ' 100' ' ' LEU . 22.4 m-70 -41.55 -42.8 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 8.2 t -34.8 -41.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 73.8 m -73.3 -63.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.442 ' C ' HG22 ' A' ' 103' ' ' THR . 11.6 p -118.89 141.37 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.158 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.452 ' N ' HG22 ' A' ' 103' ' ' THR . . . -60.56 -48.89 79.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.3 t70 46.25 29.42 0.83 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.22 -56.57 0.68 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.546 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.557 HD22 ' CG ' ' A' ' 93' ' ' HIS . 4.4 mp -41.63 151.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 1.048 HG12 HD21 ' A' ' 56' ' ' LEU . 12.5 p -50.9 -31.6 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.6 t -174.48 135.61 0.43 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 97' ' ' ALA . 16.0 p -38.85 110.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.204 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.756 HD22 ' CG ' ' A' ' 40' ' ' PHE . 84.1 mt -41.0 106.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -79.42 -73.31 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.454 ' HD2' HD11 ' A' ' 36' ' ' ILE . 30.1 m-85 -118.05 124.35 28.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.701 0.762 . . . . 0.0 110.975 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.486 ' HB2' ' N ' ' A' ' 18' ' ' TRP . 52.5 Cg_endo -69.83 -49.06 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 111.105 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 16' ' ' HIS . 54.4 mttt . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.809 0.337 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 5.2 m-70 -34.6 123.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.6 m -66.95 -40.31 87.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 4.6 p-90 -66.55 -34.26 77.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.414 ' CB ' ' HB2' ' A' ' 16' ' ' HIS . 69.2 t80 -67.62 74.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -82.07 41.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 38.4 -153.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.51 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 136.01 32.02 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.724 2.283 . . . . 0.0 112.386 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.481 HG12 ' HB3' ' A' ' 27' ' ' ALA . 52.5 t -142.43 146.42 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.1 m -75.15 154.51 37.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -48.84 -67.57 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -52.58 -39.54 61.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.481 ' HB3' HG12 ' A' ' 23' ' ' VAL . . . -54.2 -64.93 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.626 ' HB2' ' HD2' ' A' ' 43' ' ' ARG . . . -37.24 -59.07 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -47.99 -44.02 30.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -66.52 -56.54 10.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mp -39.81 -29.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' A' ' 57' ' ' ARG . 11.8 mt -89.03 -54.45 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.974 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m 38.05 37.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 77.2 p 52.7 51.69 15.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.3 mt -42.59 -68.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 106' ' ' TYR . 6.6 pt -127.58 -177.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' ILE . 4.6 p-10 -34.28 -35.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ILE . . . -171.82 107.46 0.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.498 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.3 m -116.18 155.31 28.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -132.95 164.44 26.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -154.4 155.48 35.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.57 ' N ' HD12 ' A' ' 41' ' ' LEU . 43.4 t -122.63 114.53 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.626 ' HD2' ' HB2' ' A' ' 28' ' ' ALA . 5.3 ptm180 -118.95 173.65 6.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -116.4 167.08 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.7 t -106.7 137.58 44.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.2 mt-10 -79.12 174.4 11.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.7 t 34.13 37.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.6 m -141.06 161.94 50.83 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.833 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HG2' ' CG ' ' A' ' 51' ' ' GLN . 52.9 Cg_endo -69.83 -162.98 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.07 64.63 1.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.543 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.416 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 8.2 mt-30 -103.43 170.15 8.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.957 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.675 ' CB ' HD12 ' A' ' 67' ' ' ILE . 95.6 mt -147.39 164.48 33.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.2 t -154.15 140.05 18.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.663 HD11 HD21 ' A' ' 89' ' ' LEU . 32.4 mt -109.17 104.22 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.6 m -100.43 97.91 8.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.121 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -110.69 122.7 48.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.575 ' HB2' HD13 ' A' ' 32' ' ' LEU . 4.2 tmt_? -93.02 98.59 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.606 ' CE1' ' HG2' ' A' ' 59' ' ' GLU . 8.5 t80 -97.41 155.28 16.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.606 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 2.1 pt-20 -31.77 93.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 146.63 -85.3 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -141.29 176.09 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.6 t -84.81 114.27 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.84 ' CE2' HG21 ' A' ' 101' ' ' VAL . 16.4 m-85 -97.07 160.7 14.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 65' ' ' TYR . 2.6 p80 -138.87 174.15 10.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.545 ' OH ' HG12 ' A' ' 101' ' ' VAL . 82.9 m-85 -158.29 123.84 4.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -84.22 101.82 12.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.675 HD12 ' CB ' ' A' ' 52' ' ' LEU . 71.3 mt -61.59 106.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -60.86 -178.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -151.97 137.17 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.0 p -107.38 176.63 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.18 92.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 73' ' ' GLY . 4.6 t70 -80.8 43.34 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 72' ' ' ASP . . . 34.6 65.46 0.37 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -118.46 152.78 35.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.828 0.346 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.19 135.38 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.656 ' HA ' HD12 ' A' ' 89' ' ' LEU . 9.0 p90 -173.99 124.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.704 ' O ' HG23 ' A' ' 77' ' ' VAL . 33.5 m -104.27 76.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.045 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 1.7 t -175.27 176.66 2.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -128.32 3.91 5.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -94.26 -32.29 13.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -154.54 179.88 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 78.3 mtm-85 -132.55 165.65 23.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -129.98 158.47 39.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.6 m -85.8 -58.39 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.9 p -120.33 171.27 8.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 89' ' ' LEU . 29.4 tp -61.62 -53.88 50.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 91' ' ' HIS . . . -40.41 -37.4 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -76.32 -33.74 59.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.41 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.663 HD21 HD11 ' A' ' 54' ' ' ILE . 1.1 tt -69.56 -47.26 64.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.616 ' N ' HD23 ' A' ' 89' ' ' LEU . 61.3 t -75.63 -27.52 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 81.7 t60 -78.51 -60.8 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -51.26 -51.13 56.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 7.0 m-70 -51.95 -35.27 45.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -52.7 -27.14 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.807 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.4 m -83.3 -62.27 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.557 HG22 ' H ' ' A' ' 98' ' ' ASP . 7.1 p -121.94 136.92 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.678 ' N ' HG22 ' A' ' 103' ' ' THR . . . -50.62 -40.98 54.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.557 ' H ' HG22 ' A' ' 96' ' ' VAL . 4.5 t70 46.84 50.04 13.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.83 33.7 9.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.463 HD23 ' CE2' ' A' ' 65' ' ' TYR . 33.6 mt -127.28 154.35 45.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 1.121 ' CG1' HD21 ' A' ' 56' ' ' LEU . 6.0 p -49.7 -38.01 12.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.8 t -174.17 140.72 0.7 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.101 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.678 HG22 ' N ' ' A' ' 97' ' ' ALA . 57.0 p -53.56 120.43 6.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 mt -40.37 109.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -79.11 -72.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.544 ' CD1' HD11 ' A' ' 36' ' ' ILE . 40.8 m-85 -130.54 132.72 24.16 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 121.706 0.765 . . . . 0.0 110.88 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -178.21 2.24 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 121.562 0.696 . . . . 0.0 111.115 179.803 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.852 0.358 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.541 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 21.8 m80 -76.66 157.15 32.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.7 m -73.65 -40.79 63.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.546 ' HA ' ' HB3' ' A' ' 108' ' ' ALA . 2.9 p-90 -68.32 -38.17 81.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -59.72 104.95 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.976 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.558 ' CD2' ' CB ' ' A' ' 108' ' ' ALA . 4.9 m-70 -116.08 46.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . 35.65 -151.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 125.31 11.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.579 2.186 . . . . 0.0 112.378 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t -135.25 132.42 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.3 t -79.51 152.29 30.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -47.25 -50.82 20.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.2 t -54.67 -49.04 71.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.02 92.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -54.36 47.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.731 ' HG2' HG21 ' A' ' 62' ' ' VAL . 57.1 mt-10 -61.69 -51.5 68.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -54.06 -67.53 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 mt -38.89 -52.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 35' ' ' LEU . 61.8 mt -59.09 -44.31 91.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' LEU . 3.5 t -36.11 -53.24 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 t -68.39 -48.14 65.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 32' ' ' LEU . 51.5 mt -52.23 161.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.676 HD11 ' HD2' ' A' ' 106' ' ' TYR . 25.5 pt -66.9 157.83 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -76.66 50.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.23 -35.47 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -63.65 156.32 27.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.438 . . . . 0.0 110.791 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 104' ' ' LEU . 5.6 p90 -130.62 174.85 9.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.2 pp -158.72 152.3 23.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG22 HG12 ' A' ' 54' ' ' ILE . 95.0 t -112.05 109.75 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.4 ptt85 -102.71 -179.28 3.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -121.0 151.75 39.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.418 ' CB ' ' HB2' ' A' ' 51' ' ' GLN . 1.3 t -67.33 139.26 57.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -94.15 -48.4 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.7 m -47.46 -59.14 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.772 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.0 m -117.01 129.73 25.11 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.634 0.73 . . . . 0.0 110.898 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 130.67 19.75 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.707 2.271 . . . . 0.0 112.327 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.54 -42.11 2.01 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.39 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.418 ' HB2' ' CB ' ' A' ' 45' ' ' SER . 9.6 mm-40 -61.26 141.15 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 110.841 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.517 ' C ' HD13 ' A' ' 67' ' ' ILE . 11.2 mt -126.59 159.4 33.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 p -154.81 149.54 26.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.413 HG12 HG22 ' A' ' 42' ' ' VAL . 18.5 mt -104.88 103.38 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -92.59 106.23 18.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.748 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -113.43 129.36 56.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' HB2' HD22 ' A' ' 32' ' ' LEU . 12.0 tpt180 -80.28 138.52 36.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.536 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 41.6 t80 -169.25 148.46 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.024 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 43.5 43.38 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.11 38.61 77.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.562 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -142.31 168.36 19.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.731 HG21 ' HG2' ' A' ' 29' ' ' GLU . 96.6 t -123.14 91.86 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.697 ' CD2' HG21 ' A' ' 101' ' ' VAL . 84.9 m-85 -81.46 149.8 28.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -125.42 135.54 52.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.885 ' OH ' HG23 ' A' ' 101' ' ' VAL . 97.2 m-85 -122.93 85.02 2.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.803 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -53.8 156.87 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.517 HD13 ' C ' ' A' ' 52' ' ' LEU . 3.1 mp -96.86 133.31 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -105.52 136.79 44.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.8 m -114.6 142.75 46.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 p -100.11 171.86 7.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -38.68 -62.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.71 -61.29 2.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 142.8 65.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -122.0 130.26 53.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.4 m -92.97 140.63 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.524 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 3.3 p90 -173.29 123.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.803 HG12 ' O ' ' A' ' 66' ' ' ARG . 27.6 m -100.13 75.93 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -175.46 174.25 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -126.31 -2.39 6.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -91.76 -44.56 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -135.57 -175.02 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.524 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 69.2 mtm-85 -136.01 171.49 14.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -137.68 171.63 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -100.76 -48.01 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.4 p -129.51 164.58 23.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.65 -52.13 64.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.96 -46.71 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -68.76 -34.52 75.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.82 HD23 ' C ' ' A' ' 89' ' ' LEU . 2.4 tt -61.96 -47.3 85.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.811 HG13 HD13 ' A' ' 104' ' ' LEU . 99.3 t -79.73 -50.62 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 94' ' ' SER . 5.0 t60 -52.13 -60.49 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.821 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -43.88 -47.15 8.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -85.2 31.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 54.1 p -97.94 -14.21 20.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.406 ' O ' HG21 ' A' ' 103' ' ' THR . 53.9 m -108.07 -41.73 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.107 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.609 HG22 ' H ' ' A' ' 98' ' ' ASP . 14.3 p -118.97 145.39 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -84.21 13.18 5.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.609 ' H ' HG22 ' A' ' 96' ' ' VAL . 19.8 m-20 -55.62 82.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 131.11 -39.16 1.82 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.49 HD13 HD21 ' A' ' 104' ' ' LEU . 24.7 mt -102.17 172.23 7.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.343 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.885 HG23 ' OH ' ' A' ' 65' ' ' TYR . 55.8 t -63.55 -49.35 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.0 t -144.1 149.31 36.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.042 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.533 HG22 ' C ' ' A' ' 96' ' ' VAL . 21.9 p -52.82 125.82 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.811 HD13 HG13 ' A' ' 90' ' ' VAL . 25.2 mt -64.74 85.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.492 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 1.7 p-80 -88.94 -54.4 4.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.798 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.676 ' HD2' HD11 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -119.37 99.25 50.3 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.636 0.732 . . . . 0.0 110.908 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 53.4 Cg_endo -69.8 -172.27 0.56 Allowed 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.709 2.273 . . . . 0.0 112.337 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.558 ' CB ' ' CD2' ' A' ' 20' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.745 0.307 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 18.5 m-70 -69.23 125.77 27.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.766 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 m -55.84 -48.15 75.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 2.7 p-90 -63.5 -43.93 95.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CB ' ' HB2' ' A' ' 16' ' ' HIS . 32.4 t80 -61.32 118.5 6.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -105.96 -58.84 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.56 -116.81 3.69 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 91.2 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.638 2.225 . . . . 0.0 112.35 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.6 t -123.24 120.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.9 t -65.97 144.96 56.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 -44.51 -45.61 9.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -66.43 -55.07 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.56 -42.09 55.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.13 -54.48 30.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.752 ' HG2' HG21 ' A' ' 62' ' ' VAL . 68.1 mt-10 -70.13 -53.02 19.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -48.52 -59.1 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.948 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tt -43.6 -49.16 7.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.417 HD22 ' H ' ' A' ' 57' ' ' ARG . 38.1 mt -53.95 -45.95 71.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 t -41.17 -55.85 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -54.67 -47.39 73.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.9 mt -63.78 156.4 27.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.8 pt -51.56 168.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -80.46 44.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.3 51.43 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.8 m -129.41 149.77 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.935 0.398 . . . . 0.0 110.813 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CG ' HD22 ' A' ' 104' ' ' LEU . 2.7 p90 -122.49 155.6 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 108' ' ' ALA . 1.3 pp -144.8 152.74 40.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.6 t -115.87 113.68 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.54 ' O ' HD23 ' A' ' 52' ' ' LEU . 27.8 ptt85 -112.42 172.72 6.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -122.0 158.83 28.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -86.81 132.32 33.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.801 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' SER . 9.9 tm-20 -73.17 -58.65 3.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' GLU . 26.6 t -36.49 -62.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 t -126.52 135.21 26.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.651 0.739 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 172.98 11.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.632 2.221 . . . . 0.0 112.312 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.24 -43.92 2.57 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.74 122.46 15.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 43' ' ' ARG . 15.7 mt -122.03 170.4 9.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.445 ' HA ' HD12 ' A' ' 67' ' ' ILE . 49.0 m -160.33 141.61 12.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.1 mt -100.42 99.54 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.5 m -96.97 105.28 17.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.047 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -119.8 134.56 55.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.417 ' H ' HD22 ' A' ' 32' ' ' LEU . 5.8 tpp180 -93.03 129.93 38.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 5.8 t80 -152.43 117.41 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.412 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 9.1 tt0 68.63 41.09 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.59 36.2 92.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -144.2 141.39 29.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.752 HG21 ' HG2' ' A' ' 29' ' ' GLU . 54.4 t -104.44 111.31 33.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.547 ' CE2' HG21 ' A' ' 101' ' ' VAL . 46.4 m-85 -98.01 127.53 44.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -106.54 127.72 53.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -115.86 87.17 2.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -60.7 103.03 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.586 ' HA ' HG12 ' A' ' 77' ' ' VAL . 4.8 mp -54.14 133.16 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -90.95 156.24 18.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.1 m -136.3 138.35 41.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.3 p -103.54 173.37 6.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.102 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -37.57 -61.09 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.47 -54.85 40.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 135.15 38.49 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -89.31 121.82 31.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.6 m -87.92 132.63 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.519 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 19.5 p90 -169.71 114.27 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.707 ' O ' HG23 ' A' ' 77' ' ' VAL . 33.5 m -94.39 75.25 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -176.79 157.1 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.56 34.49 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -130.3 -43.98 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -140.32 175.24 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.519 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 75.6 mtm-85 -132.16 168.29 18.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -127.61 161.5 28.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.9 p -85.21 -54.34 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.856 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.7 p -127.34 164.68 21.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.105 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 89' ' ' LEU . 21.5 tp -56.84 -54.2 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -37.34 -48.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -69.06 -35.38 76.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.492 HD23 ' C ' ' A' ' 89' ' ' LEU . 8.9 tt -57.64 -50.4 73.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 104' ' ' LEU . 95.0 t -77.39 -45.47 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -56.13 -55.53 31.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.792 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -51.05 -49.07 61.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.464 ' CD2' HD11 ' A' ' 100' ' ' LEU . 17.4 m-70 -59.25 -54.53 45.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.756 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 93' ' ' HIS . 25.2 p -35.21 -34.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.815 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' HIS . 41.6 m -81.27 -53.6 6.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.471 ' C ' HG22 ' A' ' 103' ' ' THR . 11.8 p -130.47 132.37 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.66 ' N ' HG22 ' A' ' 103' ' ' THR . . . -44.48 -47.76 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.8 t70 52.78 39.12 28.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.65 40.09 4.8 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.398 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 93' ' ' HIS . 37.9 mt -134.26 153.13 52.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.365 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 1.047 ' CG1' HD21 ' A' ' 56' ' ' LEU . 8.6 p -40.74 -41.93 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.575 HG22 HG13 ' A' ' 101' ' ' VAL . 7.4 t -173.59 148.69 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.231 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.66 HG22 ' N ' ' A' ' 97' ' ' ALA . 36.4 p -55.0 125.95 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.596 HD22 ' CG ' ' A' ' 40' ' ' PHE . 29.5 mt -62.12 98.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -98.48 -51.42 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -111.18 98.99 41.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.539 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 53.3 Cg_endo -69.78 -170.74 0.41 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.713 2.275 . . . . 0.0 112.272 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 111.024 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.6 mptt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.81 0.338 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.479 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 51.5 m-70 -87.94 151.02 23.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.9 m -69.27 -36.89 77.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.479 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 4.9 p-90 -75.49 -37.63 60.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -62.32 97.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' GLY . 4.7 m-70 -109.6 45.53 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . 36.73 -156.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 118.42 5.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.299 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.3 t -128.0 124.42 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m -51.11 138.42 20.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -47.25 -41.7 19.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.801 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -66.42 -53.28 37.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.09 -53.93 36.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.478 ' HB1' HD21 ' A' ' 41' ' ' LEU . . . -42.23 -52.31 4.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.583 ' HG2' HG21 ' A' ' 62' ' ' VAL . 8.0 mt-10 -62.94 -54.13 43.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -44.05 -48.71 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 tp -60.15 -50.06 75.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.482 ' HG ' HD23 ' A' ' 41' ' ' LEU . 90.8 mt -60.75 -29.17 69.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.5 t -80.15 -1.48 40.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.1 p -120.82 20.39 11.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.4 mt -132.45 -177.32 4.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 pt -51.81 172.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -93.71 34.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.77 37.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -110.21 157.45 19.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 17.8 p90 -134.87 164.76 26.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.482 HD23 ' HG ' ' A' ' 32' ' ' LEU . 1.3 pp -147.63 157.73 43.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.438 ' N ' HD12 ' A' ' 41' ' ' LEU . 63.4 t -124.91 101.93 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -91.57 179.52 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -139.21 147.88 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.9 t -90.82 149.93 21.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 47' ' ' SER . 23.3 tt0 -102.25 -29.67 11.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' GLU . 11.2 m -36.75 -57.22 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.7 m -131.93 139.19 34.31 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.579 0.705 . . . . 0.0 110.941 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 84.49 0.65 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.799 2.333 . . . . 0.0 112.315 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.63 40.71 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -132.16 144.2 50.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.613 ' C ' HD13 ' A' ' 67' ' ' ILE . 15.3 mt -141.88 164.06 31.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.8 m -158.28 137.75 11.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.82 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.771 HD11 HD21 ' A' ' 89' ' ' LEU . 27.1 mt -100.62 127.59 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -125.24 109.29 12.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.818 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -119.64 137.64 53.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.495 ' N ' HD12 ' A' ' 56' ' ' LEU . 1.9 tmm_? -83.33 139.16 33.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -150.35 123.79 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 53.9 30.91 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.441 ' CA ' ' HD3' ' A' ' 57' ' ' ARG . . . 91.7 -36.17 3.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.449 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -80.11 144.9 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.583 HG21 ' HG2' ' A' ' 29' ' ' GLU . 84.7 t -98.95 134.19 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.916 ' CG ' HG21 ' A' ' 101' ' ' VAL . 51.9 m-85 -111.32 139.25 46.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.446 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 20.4 p80 -115.68 145.32 42.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.476 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 4.3 m-85 -139.13 110.1 6.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -73.62 135.17 43.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.613 HD13 ' C ' ' A' ' 52' ' ' LEU . 2.7 mp -82.88 138.89 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -109.97 128.95 55.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.2 m -112.68 134.29 54.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.7 p -91.18 172.03 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -39.22 -68.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -52.97 -70.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.06 77.3 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -132.58 112.94 12.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.0 m -83.54 138.39 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 17.8 p90 -173.56 116.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.62 ' O ' HG23 ' A' ' 77' ' ' VAL . 27.8 m -92.93 76.47 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -175.06 173.51 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.439 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -127.41 29.92 5.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -134.71 -39.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -131.68 177.12 7.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.807 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 33.1 mtm-85 -140.56 176.73 8.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.95 156.5 45.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.1 m -72.29 -63.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.7 p -124.55 -175.64 3.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.44 ' CD2' HD13 ' A' ' 52' ' ' LEU . 12.2 tp -68.66 -48.41 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 91' ' ' HIS . . . -46.0 -44.53 15.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.006 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -71.93 -26.2 62.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.771 HD21 HD11 ' A' ' 54' ' ' ILE . 10.2 tt -68.3 -50.67 51.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.533 HG13 HD13 ' A' ' 104' ' ' LEU . 39.8 t -81.33 -31.99 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 68.1 t60 -70.73 -43.94 67.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -70.25 -53.82 15.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -50.13 -37.71 35.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.6 p -48.04 -19.96 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.574 ' O ' HG21 ' A' ' 103' ' ' THR . 89.2 m -88.33 -73.49 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.555 ' C ' HG22 ' A' ' 103' ' ' THR . 8.2 p -112.26 138.86 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.667 ' N ' HG22 ' A' ' 103' ' ' THR . . . -47.76 -54.56 11.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.8 t0 51.7 29.03 5.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 134.85 -61.75 0.63 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.566 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.476 ' HG ' ' CE2' ' A' ' 65' ' ' TYR . 7.8 mp -46.28 140.25 4.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.916 HG21 ' CG ' ' A' ' 63' ' ' TYR . 3.4 t -33.6 -39.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.4 t -169.93 145.14 2.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.667 HG22 ' N ' ' A' ' 97' ' ' ALA . 65.5 p -43.32 151.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.564 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 4.0 mt -79.67 95.45 5.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -64.02 -68.88 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -129.74 133.4 25.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.573 0.702 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.517 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.69 -169.19 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.695 2.264 . . . . 0.0 112.323 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.494 0.664 . . . . 0.0 111.16 179.829 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 mttm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.801 0.334 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.47 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 15.0 m80 -69.83 157.85 36.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.6 p -75.05 -43.02 55.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.484 ' CE3' HG21 ' A' ' 42' ' ' VAL . 13.5 p-90 -66.66 -25.21 66.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -77.82 98.93 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -86.93 -54.56 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.6 -116.83 5.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 90.52 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.42 143.62 40.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ARG . 39.0 m -93.98 137.77 32.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . 21.5 ttm180 -34.62 -55.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -53.37 -54.43 36.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.64 -43.43 62.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.14 -64.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.58 ' HG2' HG21 ' A' ' 62' ' ' VAL . 56.5 mt-10 -44.95 -51.66 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' LEU . 4.2 t80 -54.74 -63.65 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -36.1 -68.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.015 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.717 HD13 ' HG2' ' A' ' 57' ' ' ARG . 17.2 mt -38.9 -41.51 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.976 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 30' ' ' TYR . 4.3 t -49.21 -59.93 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.4 m -44.18 -45.82 8.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.782 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.1 mt -79.21 178.19 8.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.489 HD11 ' CD2' ' A' ' 106' ' ' TYR . 33.0 pt -73.34 166.93 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -55.85 -39.79 71.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.0 64.97 4.14 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -137.41 142.26 41.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.994 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CG ' HD22 ' A' ' 104' ' ' LEU . 28.5 p90 -128.79 167.7 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.435 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.6 pp -153.89 155.63 36.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.484 HG21 ' CE3' ' A' ' 18' ' ' TRP . 95.3 t -119.89 105.33 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 44' ' ' GLU . 46.9 ptt85 -117.62 178.09 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 5.4 tm-20 -100.97 142.5 32.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -53.38 136.2 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -75.16 -44.37 47.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.3 t -70.25 -70.53 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.807 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.6 m -75.76 119.15 75.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.87 132.1 22.45 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.05 -41.38 3.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -53.84 120.77 6.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.402 ' C ' HD13 ' A' ' 67' ' ' ILE . 73.8 mt -76.32 167.17 22.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.0 t -165.38 135.44 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.7 mt -101.15 141.22 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.3 m -139.35 119.1 13.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.813 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.722 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -131.0 148.32 52.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.717 ' HG2' HD13 ' A' ' 32' ' ' LEU . 4.0 mmt85 -88.24 127.68 35.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.595 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 14.7 t80 -132.15 119.93 21.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.989 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 63.18 25.22 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.448 ' O ' ' CD ' ' A' ' 57' ' ' ARG . . . 99.33 -44.34 1.7 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 -73.33 155.55 39.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.58 HG21 ' HG2' ' A' ' 29' ' ' GLU . 92.4 t -92.83 142.42 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 1.095 ' CD2' HG11 ' A' ' 101' ' ' VAL . 5.1 m-85 -124.67 164.48 19.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.996 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.428 ' C ' ' CG ' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -140.13 167.1 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.575 ' OH ' HG22 ' A' ' 101' ' ' VAL . 5.7 m-85 -157.45 112.4 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.943 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -74.68 133.92 42.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.424 ' CG2' HG12 ' A' ' 75' ' ' VAL . 3.6 mp -82.71 135.29 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -111.78 148.53 33.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.2 146.6 44.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -130.23 -59.28 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -151.88 150.8 30.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 47.86 38.51 9.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.4 28.58 64.92 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HB2' HG23 ' A' ' 70' ' ' THR . 45.9 mttt -67.76 121.49 16.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.424 HG12 ' CG2' ' A' ' 67' ' ' ILE . 10.8 m -107.86 140.49 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.455 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 19.9 p90 -168.25 118.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 77' ' ' VAL . 34.5 m -97.27 75.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.177 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 t -176.4 165.81 2.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.099 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -119.53 32.39 6.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -135.03 -38.63 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 p -134.15 177.39 7.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.405 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 67.7 mtt180 -140.98 177.88 7.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -146.59 176.88 9.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.3 p -94.39 -60.8 1.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.3 p -129.6 177.03 7.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' ALA . 13.4 tp -61.48 -57.23 13.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -36.25 -38.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.049 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.74 -44.18 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.667 HD23 ' C ' ' A' ' 89' ' ' LEU . 3.4 tt -50.54 -42.5 55.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.743 HG13 ' CD1' ' A' ' 104' ' ' LEU . 74.2 t -81.76 -62.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.431 ' O ' ' CB ' ' A' ' 94' ' ' SER . 3.7 t-80 -47.22 -61.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -47.61 -57.93 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.792 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 2.6 m-70 -44.11 -36.12 2.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 7.8 t -37.8 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' HIS . 77.8 m -86.15 -58.65 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.105 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.578 HG22 ' H ' ' A' ' 98' ' ' ASP . 12.4 p -109.08 146.53 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -88.26 15.02 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.578 ' H ' HG22 ' A' ' 96' ' ' VAL . 15.6 t0 -47.06 88.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 124.2 -49.79 0.89 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.422 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.563 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . 7.5 mp -90.71 147.61 23.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 1.095 HG11 ' CD2' ' A' ' 63' ' ' TYR . 20.6 m -45.6 -40.18 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.511 HG22 HG23 ' A' ' 101' ' ' VAL . 13.8 t -150.51 147.99 28.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.573 HG22 ' C ' ' A' ' 96' ' ' VAL . 66.7 p -53.17 134.3 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.743 ' CD1' HG13 ' A' ' 90' ' ' VAL . 78.4 mt -52.44 114.18 1.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -80.2 -67.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.489 ' CD2' HD11 ' A' ' 36' ' ' ILE . 37.0 m-85 -138.19 135.15 18.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.663 0.744 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.499 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.82 -177.95 2.14 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.388 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.54 0.686 . . . . 0.0 111.063 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.539 ' ND1' ' CZ2' ' A' ' 18' ' ' TRP . 31.5 m170 -47.22 168.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -100.19 -11.56 20.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.813 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.539 ' CZ2' ' ND1' ' A' ' 16' ' ' HIS . 3.7 p-90 -103.84 -27.1 12.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -81.23 111.81 17.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.975 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -116.18 36.79 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 52.94 -157.12 4.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 102.79 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.637 2.225 . . . . 0.0 112.384 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.2 t -112.98 130.85 66.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.164 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ARG . 17.2 m -60.73 124.6 20.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' SER . 2.9 ptp85 -34.58 -38.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 8.7 t -69.78 -55.03 10.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.8 -47.88 64.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.56 -69.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.103 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.78 ' HG2' HG11 ' A' ' 62' ' ' VAL . 46.1 mt-10 -46.55 -21.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.3 -67.96 0.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.1 tp -46.77 -50.14 18.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.568 ' CD2' HD23 ' A' ' 41' ' ' LEU . 94.0 mt -39.84 -66.76 0.27 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' SER . 10.7 t -59.7 -57.57 12.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' SER . 24.2 p -35.74 -47.75 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.72 -75.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 pt -143.55 -176.19 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.9 30.86 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.57 100.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -153.22 155.3 36.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.879 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.53 ' CE1' HD13 ' A' ' 104' ' ' LEU . 2.9 p90 -131.78 146.82 52.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 41' ' ' LEU . 2.4 pp -144.83 160.84 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.445 ' N ' HD12 ' A' ' 41' ' ' LEU . 75.8 t -115.6 106.85 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.7 ptt85 -97.67 156.28 16.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -118.1 156.04 29.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.5 m -83.27 138.51 33.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -88.47 -59.33 2.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 61.7 p -45.19 -49.28 12.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.42 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 29.0 m -126.16 102.57 27.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 48' ' ' SER . 54.2 Cg_endo -69.81 119.11 6.11 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.656 2.237 . . . . 0.0 112.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 136.78 -16.62 3.74 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -95.44 87.93 4.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.876 0.37 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.536 ' C ' HD13 ' A' ' 67' ' ' ILE . 4.2 mm? -73.31 162.77 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.3 t -154.84 138.93 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.775 HD11 HD21 ' A' ' 89' ' ' LEU . 23.5 mt -111.02 107.89 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.142 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 m -105.71 105.22 15.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.823 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -113.36 138.72 49.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.498 ' N ' HD12 ' A' ' 56' ' ' LEU . 2.4 mmm180 -81.91 132.34 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.653 ' CD2' ' CG2' ' A' ' 101' ' ' VAL . 89.0 t80 -156.27 121.59 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 61.39 42.59 11.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.15 35.95 91.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -145.82 162.55 37.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.78 HG11 ' HG2' ' A' ' 29' ' ' GLU . 71.9 t -116.39 114.8 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.856 ' CE1' HG21 ' A' ' 101' ' ' VAL . 93.4 m-85 -96.02 127.22 41.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -100.75 134.23 44.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.698 ' OH ' HG12 ' A' ' 101' ' ' VAL . 73.0 m-85 -129.95 105.47 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.33 124.76 24.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.536 HD13 ' C ' ' A' ' 52' ' ' LEU . 1.9 mp -74.59 122.08 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.229 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -86.47 174.63 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.8 m -153.9 134.77 13.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.6 p -87.62 168.37 13.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.61 -43.69 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.3 -69.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.4 66.64 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -120.17 121.19 38.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.5 m -92.76 129.74 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.509 ' HA ' HD12 ' A' ' 89' ' ' LEU . 26.6 p90 -167.27 117.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 77' ' ' VAL . 32.9 m -95.85 74.85 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 t -176.9 146.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.196 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.42 8.54 43.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.11 -47.94 5.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 t -138.17 -179.88 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 -127.13 170.02 12.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -138.41 152.58 48.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.1 p -75.44 -57.86 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.1 p -125.68 -176.3 3.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 10.2 tp -73.34 -49.41 27.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.39 -30.56 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.069 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.19 -26.34 23.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.775 HD21 HD11 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -69.93 -42.12 73.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.715 ' N ' HD23 ' A' ' 89' ' ' LEU . 75.6 t -83.18 -37.55 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -69.27 -51.83 33.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -60.83 -41.47 95.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 4.7 m-70 -63.81 -39.87 95.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.3 p -46.71 -29.76 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.2 m -87.58 -61.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.558 ' C ' HG22 ' A' ' 103' ' ' THR . 14.2 p -111.03 143.34 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.612 ' N ' HG22 ' A' ' 103' ' ' THR . . . -73.97 -44.82 53.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 t0 57.12 35.36 26.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.26 -28.68 9.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.575 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.496 HD22 ' CE2' ' A' ' 65' ' ' TYR . 18.3 mt -57.69 148.38 24.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.856 HG21 ' CE1' ' A' ' 63' ' ' TYR . 3.7 p -43.08 -40.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.052 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.496 HG22 HG13 ' A' ' 101' ' ' VAL . 10.3 t -171.49 148.05 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.612 HG22 ' N ' ' A' ' 97' ' ' ALA . 75.4 p -64.05 128.25 34.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.53 HD13 ' CE1' ' A' ' 40' ' ' PHE . 26.6 mt -48.81 138.7 10.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.979 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.492 ' CD2' ' H ' ' A' ' 106' ' ' TYR . 4.1 p-80 -118.59 -67.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.492 ' H ' ' CD2' ' A' ' 105' ' ' HIS . 0.9 OUTLIER -118.37 111.25 38.41 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.681 0.753 . . . . 0.0 110.926 -179.829 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 54.5 Cg_endo -69.82 -179.09 2.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.17 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 mttm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.797 0.332 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.504 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 12.6 m80 -57.35 159.43 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.1 m -82.06 -43.96 17.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.504 ' CZ2' ' CG ' ' A' ' 16' ' ' HIS . 1.1 p-90 -60.43 -47.61 85.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -38.74 121.37 1.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -105.48 -42.76 5.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.96 -156.66 15.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 90.98 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.298 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.9 t -117.22 151.03 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ARG . 17.3 m -100.9 145.86 28.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . 16.2 ptt180 -34.9 -42.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -72.17 -65.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.97 -37.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.63 -66.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -47.32 -41.25 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -67.82 -36.98 81.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.14 -54.79 28.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' A' ' 35' ' ' LEU . 5.8 mt -52.77 -32.39 43.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -45.99 -35.34 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.2 t -89.64 32.43 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 32' ' ' LEU . 43.0 mt -143.86 177.45 8.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.994 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 pt -82.06 159.42 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -76.37 51.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.756 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.84 -33.68 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -62.0 158.08 17.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.926 0.393 . . . . 0.0 110.883 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.55 ' CD1' HD22 ' A' ' 104' ' ' LEU . 18.8 p90 -131.65 163.34 28.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.4 pp -141.09 155.82 46.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.762 HG22 HG12 ' A' ' 54' ' ' ILE . 93.4 t -126.48 102.42 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -105.84 173.1 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 45' ' ' SER . 20.8 tt0 -124.68 112.25 16.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' GLU . 43.5 t -36.55 128.89 0.79 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.6 OUTLIER -75.31 -50.24 16.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' GLU . 58.7 m -34.66 -53.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.0 t -130.37 135.5 27.52 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 153.32 69.18 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.695 2.264 . . . . 0.0 112.387 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.56 -49.65 3.18 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -53.99 129.83 35.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 110.975 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.4 mt -118.15 166.93 11.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.413 ' HA ' HD12 ' A' ' 67' ' ' ILE . 21.6 p -158.99 131.38 6.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.932 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.762 HG12 HG22 ' A' ' 42' ' ' VAL . 20.2 mt -102.8 96.8 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.07 97.13 10.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.974 HD21 HG12 ' A' ' 101' ' ' VAL . 0.2 OUTLIER -106.55 122.15 45.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.8 108.73 20.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.603 ' CE1' ' HG2' ' A' ' 59' ' ' GLU . 8.3 t80 -114.86 155.09 27.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.603 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 2.0 pt-20 -30.76 95.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 146.72 -88.91 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.442 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -145.45 175.72 10.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.981 0.42 . . . . 0.0 110.773 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.4 t -79.1 128.24 38.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.524 ' CE2' HG21 ' A' ' 101' ' ' VAL . 16.6 m-85 -117.83 123.97 47.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -109.23 144.15 37.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.41 ' HE2' HD23 ' A' ' 56' ' ' LEU . 2.8 m-85 -127.91 95.95 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -66.15 85.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.627 ' H ' HD12 ' A' ' 67' ' ' ILE . 4.3 mp -37.44 137.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -91.02 173.06 8.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.9 m -147.51 137.47 22.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.4 p -92.57 175.47 6.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.8 -43.37 58.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -67.55 -59.76 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.96 37.92 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -90.54 177.48 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -137.72 134.28 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.584 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 12.6 p90 -172.14 120.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.541 HG22 HD11 ' A' ' 89' ' ' LEU . 17.7 m -101.18 76.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -175.22 170.38 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.405 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -123.39 30.8 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -131.0 -38.8 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 m -140.1 178.6 7.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.584 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 74.4 mtm-85 -135.87 177.73 7.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -143.04 158.13 43.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.9 m -80.62 -57.83 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.8 p -121.75 177.64 5.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.525 HD21 HG11 ' A' ' 42' ' ' VAL . 17.2 tp -69.53 -56.32 7.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.39 -35.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 46.9 mm-40 -74.77 -35.93 62.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.541 HD11 HG22 ' A' ' 77' ' ' VAL . 2.8 tt -65.06 -47.92 75.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.505 ' N ' HD23 ' A' ' 89' ' ' LEU . 55.4 t -71.34 -49.56 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -60.83 -48.72 80.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.469 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 65.2 t60 -55.92 -56.67 17.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -45.55 -36.33 4.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.4 p -40.4 -30.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 m -84.96 -46.82 10.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 98' ' ' ASP . 14.6 p -128.76 144.97 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.161 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -84.44 12.08 7.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.689 ' H ' HG22 ' A' ' 96' ' ' VAL . 24.3 m-20 -38.48 92.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 107.0 -45.79 1.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.503 HD23 HD21 ' A' ' 104' ' ' LEU . 7.3 mp -76.64 162.82 27.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.894 0.378 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.974 HG12 HD21 ' A' ' 56' ' ' LEU . 1.1 p -59.06 -39.84 79.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.436 ' N ' ' CG1' ' A' ' 101' ' ' VAL . 5.1 t -169.15 146.9 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.213 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.467 ' N ' ' HB2' ' A' ' 97' ' ' ALA . 22.6 p -37.86 108.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.55 HD22 ' CD1' ' A' ' 40' ' ' PHE . 78.4 mt -40.1 133.77 1.66 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -105.99 -68.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -120.15 116.49 32.5 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.752 . . . . 0.0 110.942 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.498 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.71 -42.86 3.09 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.411 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.667 0.746 . . . . 0.0 110.985 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -63.11 160.43 15.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -86.49 -41.48 14.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -68.31 -34.55 76.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -66.37 101.77 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -105.5 39.52 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 37.7 -155.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 112.94 3.2 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.583 HG12 ' HB3' ' A' ' 27' ' ' ALA . 55.8 t -117.9 151.65 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' ARG . 7.4 p -80.4 144.42 32.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' SER . 1.9 mpp_? -37.52 -59.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ALA . 2.3 m -57.15 -57.74 11.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.583 ' HB3' HG12 ' A' ' 23' ' ' VAL . . . -37.29 -40.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.58 -59.86 4.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.71 ' HG2' HG21 ' A' ' 62' ' ' VAL . 18.0 mt-10 -56.94 -50.44 72.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.58 -67.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tp -46.38 -32.32 3.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 35' ' ' LEU . 20.7 mt -74.6 -40.96 61.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.7 t -47.38 -58.11 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -55.0 -51.73 65.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 32' ' ' LEU . 64.9 mt -47.86 155.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.2 pt -61.44 -178.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -86.87 48.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.88 31.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.413 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.9 m -112.66 144.62 41.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 107' ' ' PRO . 11.7 p90 -131.69 154.33 49.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.561 ' CB ' ' HB2' ' A' ' 108' ' ' ALA . 1.2 pp -146.8 152.15 38.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -114.9 126.1 72.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.6 ptt85 -128.86 -176.68 3.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -115.46 124.5 51.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.9 p -66.07 125.5 25.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -80.9 165.89 21.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.7 t 58.36 42.54 21.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -154.39 156.57 31.82 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.59 0.71 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 82.38 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.67 2.247 . . . . 0.0 112.316 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 46.21 51.15 11.9 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -96.89 156.48 16.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.759 ' CB ' HD12 ' A' ' 67' ' ' ILE . 4.8 mt -130.51 164.36 25.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.1 t -158.5 143.67 16.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.7 mt -100.06 129.81 50.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -121.14 109.7 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.814 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -118.82 146.31 44.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.601 ' N ' HD12 ' A' ' 56' ' ' LEU . 4.0 mmm180 -88.72 122.23 31.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.564 ' HB2' HD11 ' A' ' 56' ' ' LEU . 32.9 t80 -132.96 133.89 43.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.423 ' HG2' ' CD2' ' A' ' 58' ' ' TYR . 8.4 pt-20 36.38 38.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.88 49.35 29.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -146.88 156.05 42.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.8 0.334 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.71 HG21 ' HG2' ' A' ' 29' ' ' GLU . 49.5 t -107.99 92.6 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.692 ' CD2' HG11 ' A' ' 101' ' ' VAL . 76.4 m-85 -86.62 124.72 33.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.33 123.08 47.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.637 ' OH ' HG13 ' A' ' 101' ' ' VAL . 4.4 m-85 -115.48 100.07 7.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.558 ' O ' HG12 ' A' ' 77' ' ' VAL . 22.0 mtt180 -55.5 145.2 23.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.759 HD12 ' CB ' ' A' ' 52' ' ' LEU . 95.9 mt -103.48 118.63 50.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -93.11 138.29 31.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.8 m -113.51 137.83 51.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.8 p -90.57 170.15 10.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.59 -66.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.013 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -53.1 -54.78 30.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 137.84 62.32 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.431 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -116.3 132.5 56.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.2 m -100.4 140.9 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.467 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 10.5 p90 -171.2 118.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 77' ' ' VAL . 34.0 m -100.19 75.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 1.3 t -175.81 172.03 2.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -125.86 18.36 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -110.89 -31.6 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -156.3 174.43 15.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 82' ' ' ARG . 26.7 mtm105 -127.14 158.75 36.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -122.22 163.79 18.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.7 m -85.35 -56.97 3.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.7 p -123.73 176.24 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.209 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' ALA . 11.6 tp -65.6 -56.78 10.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -34.11 -53.86 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -64.04 -54.58 31.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.814 HD23 ' C ' ' A' ' 89' ' ' LEU . 2.7 tt -38.97 -52.9 1.79 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 104' ' ' LEU . 47.3 t -74.95 -55.47 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -52.02 -67.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -40.15 -56.06 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 95' ' ' THR . 3.0 m-70 -49.87 -39.53 39.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.7 m -44.15 -22.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.838 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 93' ' ' HIS . 71.4 m -88.67 -42.27 12.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.492 HG13 ' HB2' ' A' ' 98' ' ' ASP . 7.5 p -132.32 144.9 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.167 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -80.53 12.42 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.189 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.492 ' HB2' HG13 ' A' ' 96' ' ' VAL . 36.2 m-20 -49.62 87.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 126.86 -47.23 1.03 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.552 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 65' ' ' TYR . 25.4 mt -90.47 174.25 7.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.953 0.406 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.692 HG11 ' CD2' ' A' ' 63' ' ' TYR . 3.4 m -71.45 -28.23 31.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.7 t -162.1 154.41 19.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.5 p -56.7 132.0 50.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.493 HD22 ' CG ' ' A' ' 40' ' ' PHE . 89.9 mt -55.6 109.13 0.51 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -78.25 -65.26 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -137.13 133.34 18.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.692 0.758 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.507 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.71 -176.1 1.36 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.731 2.287 . . . . 0.0 112.323 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.561 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.714 0.769 . . . . 0.0 111.072 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.848 0.356 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -46.13 149.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.792 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 m -72.72 -49.47 30.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.5 p-90 -64.74 -41.88 95.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -62.52 113.81 3.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' GLY . 4.7 m-70 -123.14 42.78 3.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . 36.77 -153.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 124.57 11.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.318 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.3 t -131.78 124.21 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 m -52.57 143.28 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -45.54 -56.6 4.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.9 p -57.34 -45.72 84.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.81 -47.43 77.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.452 ' HB2' ' HD2' ' A' ' 43' ' ' ARG . . . -56.59 -59.19 5.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.944 ' HG2' HG21 ' A' ' 62' ' ' VAL . 37.3 mt-10 -56.8 -54.98 40.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -51.94 -50.39 61.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 mt -53.82 -43.6 69.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 57' ' ' ARG . 37.7 mt -67.18 -54.97 16.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' LEU . 60.0 p -34.16 -44.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -66.66 -49.24 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' LEU . 34.0 mt -71.27 157.01 38.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.986 HD12 ' N ' ' A' ' 38' ' ' GLY . 2.6 pp -59.0 154.89 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -75.68 47.46 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.808 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.986 ' N ' HD12 ' A' ' 36' ' ' ILE . . . -138.55 -18.08 0.56 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.554 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -88.61 160.69 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 110.824 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 104' ' ' LEU . 29.5 p90 -129.52 173.01 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.482 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.1 pp -154.2 150.05 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.24 102.09 12.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.452 ' HD2' ' HB2' ' A' ' 28' ' ' ALA . 4.5 ptm180 -107.58 156.91 18.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -108.16 135.46 49.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.4 t -58.67 145.12 41.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -64.53 136.88 57.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.7 m 53.41 39.29 29.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 m -131.55 85.21 53.18 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.697 0.761 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 108.48 2.1 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.665 2.243 . . . . 0.0 112.415 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.37 -53.2 0.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -58.54 149.9 24.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.365 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.55 ' HB2' HD13 ' A' ' 67' ' ' ILE . 84.0 mt -145.36 170.11 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.2 m -150.74 134.09 16.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.449 HG13 HD11 ' A' ' 67' ' ' ILE . 22.2 mt -98.9 96.21 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.1 m -91.93 86.93 6.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.061 HD21 HG12 ' A' ' 101' ' ' VAL . 0.5 OUTLIER -100.61 132.57 45.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.92 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.616 ' HB2' HD13 ' A' ' 32' ' ' LEU . 6.4 tpt180 -88.2 131.56 34.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -153.35 117.79 4.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 68.22 37.44 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.87 46.15 92.36 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.4 mtp85 -153.16 147.21 25.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.944 HG21 ' HG2' ' A' ' 29' ' ' GLU . 21.7 t -101.42 114.7 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.728 ' CE2' HG21 ' A' ' 101' ' ' VAL . 35.2 m-85 -108.43 127.84 54.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -106.94 148.18 28.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.439 ' CE2' HD23 ' A' ' 100' ' ' LEU . 91.7 m-85 -134.05 106.47 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -66.74 86.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 67' ' ' ILE . 5.3 mp -43.01 99.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -60.35 154.02 21.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.491 HG22 ' H ' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -139.62 146.47 39.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 p -103.52 114.03 27.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 51.75 25.01 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 t0 73.56 47.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.963 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.491 ' H ' HG22 ' A' ' 69' ' ' THR . . . -143.03 -99.57 0.32 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.447 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -56.72 155.12 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.729 HG22 ' HA ' ' A' ' 85' ' ' THR . 27.1 m -132.9 143.3 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.581 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 4.8 p90 -175.1 132.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.855 HG13 HD11 ' A' ' 89' ' ' LEU . 34.5 m -103.76 73.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.165 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 2.6 t -178.67 167.1 1.76 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.02 -12.33 11.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -80.29 -46.94 15.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.0 p -130.72 -173.65 3.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.581 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 46.8 mtm180 -137.99 176.35 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 82' ' ' ARG . 43.1 m-85 -148.7 141.62 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.428 ' OG ' HG23 ' A' ' 85' ' ' THR . 3.3 t -57.72 -58.48 8.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.729 ' HA ' HG22 ' A' ' 75' ' ' VAL . 21.1 p -141.57 175.06 9.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.515 ' N ' HG21 ' A' ' 75' ' ' VAL . 11.2 tp -47.0 -54.15 10.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -35.81 -51.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -72.12 -37.65 69.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.855 HD11 HG13 ' A' ' 77' ' ' VAL . 6.0 tt -57.54 -47.58 81.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.616 HG13 HD13 ' A' ' 104' ' ' LEU . 82.1 t -81.26 -36.59 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.182 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -68.18 -67.27 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -41.77 -50.49 4.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.784 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 11.2 m-70 -58.36 -44.38 88.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' HIS . 23.0 t -33.31 -37.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 93' ' ' HIS . 49.1 m -76.02 -52.4 10.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.555 HG22 ' H ' ' A' ' 98' ' ' ASP . 7.2 p -132.57 138.73 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.46 ' N ' HG22 ' A' ' 103' ' ' THR . . . -49.58 -41.85 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.555 ' H ' HG22 ' A' ' 96' ' ' VAL . 8.0 t70 51.78 39.17 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.08 38.34 4.88 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.481 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.439 HD23 ' CE2' ' A' ' 65' ' ' TYR . 27.5 mt -131.38 147.67 52.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.954 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 1.061 HG12 HD21 ' A' ' 56' ' ' LEU . 9.3 p -39.18 -34.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.495 HG22 HG13 ' A' ' 101' ' ' VAL . 6.2 t -175.49 153.86 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.462 HG22 ' C ' ' A' ' 96' ' ' VAL . 3.7 p -62.34 142.1 57.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.616 HD13 HG13 ' A' ' 90' ' ' VAL . 17.7 mt -87.23 96.69 10.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -117.96 -24.01 7.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -112.47 80.77 3.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.492 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 55.1 Cg_endo -69.69 146.53 60.91 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.409 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 111.104 179.832 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.493 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 63.3 m-70 -77.15 145.75 37.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.814 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 m -63.99 -49.79 71.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.78 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.2 p-90 -60.36 -34.37 73.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -68.29 118.25 11.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -97.02 -48.95 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 132.3 -152.77 20.31 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.468 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 90.47 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.636 2.224 . . . . 0.0 112.404 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.9 t -122.38 135.47 62.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' SER . 24.8 t -86.63 137.14 32.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -33.36 -35.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' SER . 2.3 m -74.34 -51.34 15.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' SER . . . -60.09 -45.17 93.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.195 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 29' ' ' GLU . . . -50.0 -70.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.596 ' HG2' HG21 ' A' ' 62' ' ' VAL . 7.3 mt-10 -37.6 -47.52 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.11 -48.67 80.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.21 -45.97 91.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.596 ' HG ' HD23 ' A' ' 41' ' ' LEU . 4.2 mt -58.46 -42.91 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.3 t -43.0 -45.02 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.6 m -69.97 -48.79 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.783 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.521 HD12 HD23 ' A' ' 32' ' ' LEU . 42.1 mt -45.1 158.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.4 pt -45.5 169.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.186 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -82.21 43.73 0.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.73 66.18 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.449 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.4 p -131.71 148.6 52.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.382 . . . . 0.0 110.897 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.625 ' CG ' HD22 ' A' ' 104' ' ' LEU . 3.6 p90 -121.48 128.86 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.596 HD23 ' HG ' ' A' ' 32' ' ' LEU . 1.5 pp -126.34 156.97 39.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.721 HG22 HG12 ' A' ' 54' ' ' ILE . 80.8 t -122.04 106.12 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.4 ptt85 -94.41 179.46 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -140.44 164.7 29.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -108.25 136.29 48.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' SER . 19.5 mt-10 -82.13 -62.25 1.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' GLU . 7.2 t -34.59 -63.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.7 m -99.35 127.6 34.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.605 0.717 . . . . 0.0 110.836 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 162.43 42.11 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.48 42.62 26.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.454 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -123.14 92.48 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.533 ' CB ' HD13 ' A' ' 67' ' ' ILE . 17.7 mt -102.55 169.84 8.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.2 m -159.65 138.02 10.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.721 HG12 HG22 ' A' ' 42' ' ' VAL . 63.9 mt -101.66 86.94 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.0 m -83.81 96.71 8.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.766 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.089 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -108.04 137.77 45.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.939 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.812 ' HD3' HG22 ' A' ' 62' ' ' VAL . 6.4 mmm180 -96.44 139.1 33.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 60' ' ' GLY . 35.9 t80 -153.49 157.66 40.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' TYR . 19.1 mt-10 -34.47 93.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 146.56 -105.15 0.32 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.524 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.17 172.47 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.812 HG22 ' HD3' ' A' ' 57' ' ' ARG . 66.6 t -69.26 122.52 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.84 ' CE2' HG21 ' A' ' 101' ' ' VAL . 11.4 m-85 -109.36 144.4 37.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -130.08 165.62 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -144.23 118.96 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.43 ' NE ' ' OD1' ' A' ' 68' ' ' ASN . 3.9 tmm_? -79.1 120.08 23.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.578 ' HA ' HG12 ' A' ' 77' ' ' VAL . 5.1 mp -77.05 128.2 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.43 ' OD1' ' NE ' ' A' ' 66' ' ' ARG . 48.1 m-20 -121.75 160.69 24.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.06 177.93 4.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 71' ' ' ALA . 72.4 p -118.15 -75.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.418 ' N ' ' OG1' ' A' ' 70' ' ' THR . . . -124.65 -74.54 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.36 -60.59 2.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -176.61 34.6 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -86.81 111.17 20.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.386 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 m -77.11 146.99 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 7.9 p90 -165.74 113.94 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.723 HG13 HD11 ' A' ' 89' ' ' LEU . 34.5 m -99.55 75.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 t -176.21 169.22 2.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.84 29.29 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -133.78 -40.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.9 p -132.35 -175.7 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -142.71 163.78 31.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -136.65 159.36 42.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.823 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.2 m -72.47 -65.41 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.9 p -125.53 174.16 8.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' ALA . 12.9 tp -60.32 -54.49 45.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -33.81 -48.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -74.8 -42.48 58.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.723 HD11 HG13 ' A' ' 77' ' ' VAL . 4.2 tt -51.27 -41.7 60.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.579 HG13 HD13 ' A' ' 104' ' ' LEU . 57.8 t -82.65 -53.35 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 94' ' ' SER . 63.3 t60 -58.15 -64.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.77 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 91' ' ' HIS . 4.0 t60 -36.98 -55.12 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 95' ' ' THR . 5.7 m-70 -60.6 -34.9 74.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.812 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 91' ' ' HIS . 7.6 t -36.34 -33.86 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 93' ' ' HIS . 63.6 m -80.83 -53.89 6.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.662 HG22 ' H ' ' A' ' 98' ' ' ASP . 14.4 p -122.67 144.6 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.649 ' HB2' ' N ' ' A' ' 103' ' ' THR . . . -86.7 15.46 5.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.662 ' H ' HG22 ' A' ' 96' ' ' VAL . 6.0 t0 -40.87 91.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 96.23 29.68 8.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' ALA . 82.6 mt -146.01 174.2 11.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 1.089 ' CG1' HD21 ' A' ' 56' ' ' LEU . 7.4 p -72.39 -38.13 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.406 HG22 HG13 ' A' ' 101' ' ' VAL . 10.6 t -172.2 138.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.649 ' N ' ' HB2' ' A' ' 97' ' ' ALA . 21.6 p -42.35 126.15 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.625 HD22 ' CG ' ' A' ' 40' ' ' PHE . 71.8 mt -56.69 96.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -65.56 -71.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -125.58 132.61 24.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.5 ' HB2' ' N ' ' A' ' 18' ' ' TRP . 52.5 Cg_endo -69.8 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.655 2.236 . . . . 0.0 112.345 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.659 0.742 . . . . 0.0 111.137 179.77 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 p -153.74 114.17 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.829 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -129.8 151.04 50.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.86 103.25 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.477 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 p -172.29 110.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -136.32 147.6 47.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.88 140.68 30.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.449 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.0 p -118.35 143.84 33.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 0.0 111.164 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -30.38 22.59 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.692 2.262 . . . . 0.0 112.378 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.6 t -53.5 135.98 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -88.12 144.8 26.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 m -141.24 158.24 44.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.38 37.71 3.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 25.2 mp0 -116.2 81.29 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 16' ' ' HIS . 3.5 mmmm -90.86 -62.16 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 15' ' ' LYS . 36.6 m-70 -34.51 142.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 50.2 m -68.44 -47.52 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.453 ' N ' ' HB2' ' A' ' 107' ' ' PRO . 1.3 p-90 -66.19 -43.22 87.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.439 ' CB ' ' HB2' ' A' ' 16' ' ' HIS . 28.0 t80 -58.31 125.33 22.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -131.71 40.28 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 41.93 -153.33 0.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.552 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 122.59 9.27 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 27' ' ' ALA . 97.8 t -140.44 127.16 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.16 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -57.63 140.72 50.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 25' ' ' ARG . 6.2 tmm_? -40.68 -50.11 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.3 t -62.69 -49.65 74.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.5 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . . . -44.05 -45.43 8.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.79 -59.53 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.693 ' HG2' HG21 ' A' ' 62' ' ' VAL . 34.9 mt-10 -51.61 -49.62 61.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -57.88 -65.49 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 tt -42.59 -45.76 4.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 mt -51.33 -37.38 47.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.6 t -56.83 -25.56 56.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.3 t -90.67 35.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.795 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.5 mt -151.74 173.82 14.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.935 HD11 ' CD2' ' A' ' 106' ' ' TYR . 49.2 pt -70.39 176.73 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -84.66 43.65 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.36 39.53 0.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -110.96 142.5 42.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.771 ' CG ' HD22 ' A' ' 104' ' ' LEU . 2.8 p90 -131.87 127.8 37.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 pp -124.05 160.54 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.1 t -120.8 103.09 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.4 ptt85 -93.76 160.93 14.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -131.48 128.21 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -79.96 153.03 29.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -91.65 -53.71 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.6 m -40.62 -70.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.1 t -67.37 140.56 95.21 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.645 0.735 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 108.93 2.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.13 65.52 3.46 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.517 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.24 105.1 13.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.6 mt -97.54 168.94 10.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.9 t -168.81 136.33 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.7 mt -103.36 107.29 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -114.31 103.24 10.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.899 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.3 OUTLIER -105.82 135.67 46.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.894 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' N ' HD12 ' A' ' 56' ' ' LEU . 8.7 tpt180 -82.43 140.22 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.615 ' CD2' HG21 ' A' ' 102' ' ' THR . 4.5 t80 -161.6 128.13 3.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 4.7 tt0 50.16 40.45 21.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.45 38.29 93.39 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -145.01 149.36 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.353 . . . . 0.0 110.893 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.693 HG21 ' HG2' ' A' ' 29' ' ' GLU . 85.3 t -113.4 106.56 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.633 ' CE2' HG21 ' A' ' 101' ' ' VAL . 89.7 m-85 -86.47 115.99 24.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -88.76 137.71 32.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -131.19 82.18 2.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -61.93 104.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 67' ' ' ILE . 4.6 mp -57.67 126.57 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -85.17 175.41 8.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.6 m -140.47 135.09 31.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 75.8 p -92.42 165.54 13.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.81 -48.73 10.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.114 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -64.93 -62.99 1.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.77 43.39 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -103.99 164.71 11.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.443 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 17.3 m -123.67 135.83 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.428 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 11.5 p90 -167.8 123.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.704 ' O ' HG23 ' A' ' 77' ' ' VAL . 34.2 m -106.35 74.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -177.52 166.55 2.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.11 3.78 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -89.85 -45.58 9.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.35 -174.93 4.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -131.47 165.71 22.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -128.9 156.24 44.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.7 p -73.84 -62.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.8 p -122.43 176.08 6.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' LEU . 17.7 tp -63.43 -54.91 29.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.986 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -37.65 -46.45 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -68.91 -35.79 77.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.559 HD23 ' C ' ' A' ' 89' ' ' LEU . 7.4 tt -58.32 -48.35 80.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.823 HG13 HD13 ' A' ' 104' ' ' LEU . 93.7 t -79.54 -39.95 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -59.04 -61.82 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -53.66 -53.81 46.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 12.2 m-70 -52.82 -47.45 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' HIS . 35.6 t -35.44 -40.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.1 m -74.11 -59.02 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.5 p -125.34 136.97 59.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.47 71.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 t70 51.81 40.21 27.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.85 -49.83 0.87 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.44 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.3 mt -48.45 173.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.899 ' CG1' HD21 ' A' ' 56' ' ' LEU . 10.6 p -70.03 -32.22 50.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.615 HG21 ' CD2' ' A' ' 58' ' ' TYR . 64.0 p -159.01 -176.25 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.3 p -95.64 109.81 22.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.823 HD13 HG13 ' A' ' 90' ' ' VAL . 40.7 mt -47.02 101.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -110.76 -53.0 2.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.935 ' CD2' HD11 ' A' ' 36' ' ' ILE . 25.1 m-85 -104.66 93.04 5.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.713 0.768 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.76 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -159.5 151.76 17.41 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.554 0.693 . . . . 0.0 111.099 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.476 ' O ' ' C ' ' A' ' 110' ' ' LYS . 54.6 Cg_endo -69.78 179.05 3.98 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.613 2.208 . . . . 0.0 112.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 109' ' ' PRO . 20.5 mttt 31.92 47.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 26.8 p -62.63 128.27 35.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.48 129.63 53.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -96.26 -44.56 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.0 m -107.48 120.75 43.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -130.59 -171.3 12.88 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 179.82 3.45 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.1 t -98.34 153.03 18.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.76 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.7 p -171.81 135.92 0.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 66.63 42.96 2.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.346 . . . . 0.0 110.861 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -145.13 127.11 15.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.16 -137.03 2.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m 55.0 45.67 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.926 0.393 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -110.91 127.51 55.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.48 57.77 3.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.424 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 40.1 p -103.03 96.54 8.1 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.608 0.718 . . . . 0.0 111.138 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 8' ' ' THR . 53.8 Cg_endo -69.74 -38.13 8.27 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.3 m -149.96 142.72 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -170.43 132.66 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m -85.96 91.58 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mt -117.99 81.88 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.994 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 45.58 44.75 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -48.62 -53.64 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -66.32 157.51 31.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -79.47 -44.89 20.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.756 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -66.58 -37.75 85.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -70.49 102.91 2.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -107.2 40.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 43.71 -156.85 0.16 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.543 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 121.42 8.1 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.761 2.307 . . . . 0.0 112.247 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -136.2 131.9 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.5 t -60.42 150.83 29.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -51.18 -66.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.0 p -44.44 -41.1 5.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.26 -57.95 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.22 -58.59 2.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.575 ' HG2' HG21 ' A' ' 62' ' ' VAL . 10.6 mt-10 -46.74 -56.33 6.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -55.77 -43.3 76.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.518 ' O ' HD13 ' A' ' 31' ' ' LEU . 1.4 tm? -59.73 -34.26 72.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 mt -70.77 -44.34 66.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 p -56.37 -27.29 55.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -87.68 34.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.553 HD11 ' HD3' ' A' ' 109' ' ' PRO . 21.1 mt -149.44 165.78 31.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.2 pt -52.34 177.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -85.25 44.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.25 51.06 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.559 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 m -116.86 148.23 41.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.901 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.81 ' CG ' HD22 ' A' ' 104' ' ' LEU . 8.4 p90 -127.46 148.48 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -144.28 153.23 41.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.485 ' N ' HD12 ' A' ' 41' ' ' LEU . 98.2 t -118.17 128.28 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.052 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 -122.86 -179.23 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -154.1 140.11 18.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.486 ' CB ' ' CD ' ' A' ' 51' ' ' GLN . 9.5 t -79.65 150.49 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -87.09 -56.68 3.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 m -79.85 60.39 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -160.86 156.26 21.25 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.59 0.71 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.2 Cg_endo -69.82 86.98 0.57 Allowed 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.679 2.253 . . . . 0.0 112.315 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' PRO . . . 34.68 52.12 0.8 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.486 ' CD ' ' CB ' ' A' ' 45' ' ' SER . 7.9 pt20 -75.8 167.3 22.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.525 ' C ' HD13 ' A' ' 67' ' ' ILE . 96.0 mt -156.41 143.03 18.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.8 m -149.23 142.48 25.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.472 HG12 HG22 ' A' ' 42' ' ' VAL . 68.0 mt -104.91 111.58 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 m -108.74 122.15 46.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.813 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -128.8 143.11 50.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.548 ' N ' HD12 ' A' ' 56' ' ' LEU . 22.5 tpp85 -83.68 111.48 19.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.771 ' HB2' HD11 ' A' ' 56' ' ' LEU . 47.6 t80 -126.09 111.83 15.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 63.95 39.22 8.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.89 -5.25 25.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.575 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -103.15 152.88 20.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.4 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.575 HG21 ' HG2' ' A' ' 29' ' ' GLU . 20.1 t -100.65 126.08 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.558 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 94.2 m-85 -115.95 124.38 50.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.944 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.438 ' ND1' ' C ' ' A' ' 64' ' ' HIS . 1.5 p80 -102.67 143.8 31.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.47 ' OH ' HG13 ' A' ' 101' ' ' VAL . 3.5 m-85 -134.99 103.99 5.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.559 ' O ' HG12 ' A' ' 77' ' ' VAL . 2.5 mmm180 -63.91 143.03 58.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.577 ' CG2' HG12 ' A' ' 75' ' ' VAL . 4.4 mp -95.14 119.74 43.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -88.08 127.0 35.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.2 m -103.44 145.91 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.9 p -102.89 173.09 6.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.84 -54.29 5.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -65.8 -66.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.04 46.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -98.49 130.14 45.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.905 0.384 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.577 HG12 ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -97.76 138.2 23.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.65 ' HA ' HD12 ' A' ' 89' ' ' LEU . 15.2 p90 -171.32 122.03 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 66' ' ' ARG . 21.3 m -98.6 76.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.086 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -174.55 172.03 3.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.424 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -125.96 29.43 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -128.31 -29.96 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 t -153.82 -175.6 5.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.4 mtm105 -135.21 173.66 11.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -137.35 144.29 42.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.492 ' OG ' HG23 ' A' ' 85' ' ' THR . 1.0 OUTLIER -50.34 -65.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.492 HG23 ' OG ' ' A' ' 84' ' ' SER . 29.2 p -142.17 171.4 14.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 tp -43.7 -52.24 6.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.958 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.34 -58.86 1.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.189 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.86 -38.57 91.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.68 HD23 ' N ' ' A' ' 90' ' ' VAL . 5.1 tt -55.37 -61.45 2.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.68 ' N ' HD23 ' A' ' 89' ' ' LEU . 95.8 t -65.87 -46.53 88.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -58.09 -66.45 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -44.82 -44.65 9.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.797 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -52.72 -39.88 62.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -40.63 -38.85 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.0 m -78.14 -60.82 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 p -123.5 142.87 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.32 -61.92 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.5 t0 47.81 51.16 14.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 138.02 -67.96 0.52 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 100' ' ' LEU . 7.5 mp -53.03 -178.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.368 . . . . 0.0 110.826 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.56 HG22 HD21 ' A' ' 56' ' ' LEU . 2.8 m -82.02 -28.33 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.111 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.2 t -161.53 154.54 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.8 p -58.15 125.77 24.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.232 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.81 HD22 ' CG ' ' A' ' 40' ' ' PHE . 70.8 mt -55.24 114.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -82.88 -60.04 2.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -139.57 135.24 16.74 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.795 0.807 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.414 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.77 -164.63 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.664 2.242 . . . . 0.0 112.307 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.642 ' HB1' ' HD2' ' A' ' 109' ' ' PRO . . . -76.06 162.26 72.28 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.638 0.732 . . . . 0.0 111.101 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.642 ' HD2' ' HB1' ' A' ' 108' ' ' ALA . 54.0 Cg_endo -69.8 135.51 30.55 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.594 2.196 . . . . 0.0 112.332 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -66.07 110.41 2.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.7 m -131.06 34.85 3.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -117.02 86.18 2.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.24 53.73 2.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.5 t -53.61 148.12 10.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.24 146.52 14.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -32.52 18.34 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.297 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.5 t -110.37 143.93 39.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.7 m -93.54 99.64 12.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.231 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 m -160.13 137.24 9.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -153.37 138.5 17.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.45 -157.51 8.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -173.31 151.74 2.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -132.84 172.42 12.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.798 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.43 87.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 p -69.89 121.86 84.13 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.539 0.685 . . . . 0.0 111.133 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -20.85 34.56 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.369 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.2 m 37.76 36.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -102.01 -57.61 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.7 p 45.3 36.05 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mt -86.68 43.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -75.73 48.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -97.26 -47.22 5.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.497 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 12.5 m-70 -41.76 147.44 0.2 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.9 t -72.95 -47.43 45.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.9 p-90 -59.29 -43.04 92.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -59.23 137.62 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -124.18 -51.83 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.93 -156.28 22.79 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 86.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.362 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.6 t -101.74 137.62 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.217 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.5 m -70.11 164.68 23.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -56.59 -66.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -56.88 -44.45 82.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.63 -53.67 17.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.9 -60.45 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.59 ' HG2' HG21 ' A' ' 62' ' ' VAL . 48.6 mt-10 -53.58 -52.57 59.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -42.9 -69.93 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -38.95 -52.0 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.008 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.3 mt -55.35 -43.82 75.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -43.37 -42.43 4.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.8 m -70.56 -47.59 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.795 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.3 mt -59.42 173.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.99 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.9 pt -84.47 -175.82 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' ND2' ' HA ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -67.47 -50.13 60.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.16 62.46 2.57 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.405 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -138.89 160.38 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.803 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.541 ' CE2' ' HB3' ' A' ' 104' ' ' LEU . 3.1 p90 -158.9 159.81 35.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 42' ' ' VAL . 1.2 pp -152.48 160.16 43.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.466 ' N ' HD12 ' A' ' 41' ' ' LEU . 21.8 t -128.48 104.58 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 -95.24 155.68 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -119.66 148.28 43.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -78.01 147.08 35.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -85.4 -70.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 61.3 p -73.88 -58.7 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -41.48 162.78 0.12 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.731 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -162.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.274 . . . . 0.0 112.251 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.68 65.08 1.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -112.2 86.95 2.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mp -84.07 167.66 16.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.6 t -162.08 142.02 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.437 HG12 HG22 ' A' ' 42' ' ' VAL . 17.4 mt -99.84 104.21 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.2 m -93.89 100.75 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.75 HD21 ' HB ' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -109.65 137.0 48.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.418 ' HG2' HG22 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -97.35 100.36 11.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.656 ' HB2' HD11 ' A' ' 56' ' ' LEU . 92.7 t80 -111.26 157.23 20.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -38.45 96.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 140.74 -98.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.451 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 60' ' ' GLY . 2.8 mpt_? -133.32 166.51 22.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.832 0.349 . . . . 0.0 110.832 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.59 HG21 ' HG2' ' A' ' 29' ' ' GLU . 46.3 t -75.75 122.72 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.867 ' CD2' HG21 ' A' ' 101' ' ' VAL . 9.4 m-85 -106.06 144.07 33.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -124.19 124.17 41.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.948 ' OH ' HG23 ' A' ' 101' ' ' VAL . 62.1 m-85 -100.28 101.29 12.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -67.49 105.2 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 67' ' ' ILE . 3.5 mp -56.36 133.63 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -92.35 154.18 18.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.825 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.4 m -136.96 131.79 33.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.2 p -91.56 -177.22 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.81 -55.57 32.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.73 -61.3 2.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.73 59.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -117.89 140.31 49.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.77 0.319 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.4 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 32.7 m -108.67 132.16 57.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.154 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.445 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 27.1 p90 -167.07 121.53 1.04 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.818 HG13 HD11 ' A' ' 89' ' ' LEU . 29.7 m -99.81 75.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.044 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -176.65 148.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.05 12.17 37.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -99.02 -46.81 5.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -142.79 177.43 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.909 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.445 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 38.8 mtm-85 -125.37 161.38 27.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.471 ' CD2' ' HA ' ' A' ' 89' ' ' LEU . 48.4 m-85 -125.82 169.24 12.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.4 m -98.81 -41.92 7.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.4 p -128.92 161.49 29.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.176 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 87' ' ' ALA . 29.4 tp -60.05 -53.55 56.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -35.79 -41.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -71.31 -47.41 56.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.818 HD11 HG13 ' A' ' 77' ' ' VAL . 1.6 tt -48.66 -35.82 14.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.635 ' O ' HD12 ' A' ' 104' ' ' LEU . 58.5 t -90.78 -44.85 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.498 ' O ' ' CB ' ' A' ' 94' ' ' SER . 7.3 t-160 -64.82 -60.71 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.808 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -39.15 -49.55 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.407 ' CE1' ' O ' ' A' ' 98' ' ' ASP . 65.4 m-70 -83.98 33.67 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 25.7 t -99.2 -12.81 20.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -103.89 -36.48 7.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.491 HG21 ' OD2' ' A' ' 98' ' ' ASP . 7.7 p -130.53 156.66 42.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -92.33 13.57 18.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.491 ' OD2' HG21 ' A' ' 96' ' ' VAL . 22.6 m-20 -54.82 83.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 128.17 -32.79 3.33 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.0 mt -107.58 173.56 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.342 . . . . 0.0 110.921 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.948 HG23 ' OH ' ' A' ' 65' ' ' TYR . 13.0 t -64.68 -50.85 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.6 t -140.94 161.81 36.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.475 HG22 ' CA ' ' A' ' 96' ' ' VAL . 0.9 OUTLIER -67.12 111.15 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.052 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 90' ' ' VAL . 51.6 mt -46.45 112.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.402 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 5.0 m170 -113.75 -60.63 1.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -104.29 93.89 6.23 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-O 121.663 0.744 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.493 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 54.2 Cg_endo -69.78 -31.57 20.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.347 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -174.47 150.58 1.48 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.643 0.735 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 149.64 67.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -106.44 -15.85 14.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.4 t -162.21 173.04 14.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -98.68 -47.96 5.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -107.03 141.91 37.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 m -119.67 -56.76 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 127.41 145.8 6.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.447 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -40.66 5.04 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.6 p -80.66 126.56 31.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.8 p -100.12 -46.11 5.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.796 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.529 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.5 m -162.02 173.53 14.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -122.84 169.33 11.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.69 -166.11 16.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 m -146.87 174.98 11.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 110.929 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -118.45 -62.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.94 -164.18 25.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.7 p -123.18 120.68 27.26 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.528 0.68 . . . . 0.0 111.207 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.77 -39.21 6.76 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.741 2.294 . . . . 0.0 112.344 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 10' ' ' VAL . 11.1 m -57.87 128.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' VAL . 26.7 m-20 -35.63 140.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -140.49 125.18 18.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.473 HD23 ' H ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -112.14 57.5 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -100.81 90.45 4.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -95.9 -38.98 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -68.56 152.83 44.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.2 m -80.84 -33.89 34.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.451 ' CE3' HG21 ' A' ' 42' ' ' VAL . 7.7 p-90 -78.17 -33.19 50.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -68.23 88.73 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.01 -61.02 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.1 -101.98 1.68 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.386 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 82.86 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.249 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.6 t -120.56 131.14 73.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.0 t -80.54 152.63 28.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.77 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -42.46 -60.26 1.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.9 t -57.08 -54.69 43.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.49 -51.61 6.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.3 -58.28 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.524 ' HG2' HG21 ' A' ' 62' ' ' VAL . 35.0 mt-10 -64.27 -59.17 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -44.18 -63.83 0.8 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.18 -53.72 2.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' SER . 57.5 mt -51.54 -59.07 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' LEU . 23.1 t -35.29 -49.47 0.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.9 m -57.25 -47.58 81.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' LEU . 11.2 mt -59.71 -178.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.743 HD11 ' CD2' ' A' ' 106' ' ' TYR . 30.1 pt -75.72 170.03 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -79.14 52.47 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.834 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.53 39.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.504 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -112.66 158.44 20.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 7.8 p90 -131.31 155.49 47.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -145.56 159.97 42.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.564 ' N ' HD12 ' A' ' 41' ' ' LEU . 29.5 t -128.89 116.82 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -117.76 160.54 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HA ' HD23 ' A' ' 52' ' ' LEU . 4.7 tp10 -94.69 138.69 32.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.0 t -60.08 148.96 33.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.98 -45.53 49.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.5 p -47.16 -65.61 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.5 m -129.07 143.46 48.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.732 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.87 8.96 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -98.68 -46.36 2.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -61.01 157.71 14.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.458 ' CB ' HD13 ' A' ' 67' ' ' ILE . 24.3 mt -142.61 168.85 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.9 t -157.02 141.74 16.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.4 mt -102.93 98.34 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.185 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 m -93.68 97.95 10.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.988 HD21 HG12 ' A' ' 101' ' ' VAL . 0.6 OUTLIER -115.68 144.22 44.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.409 ' N ' HD12 ' A' ' 56' ' ' LEU . 15.6 tpp180 -93.77 142.72 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -167.55 128.91 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 51.9 43.2 30.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.94 36.17 92.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -140.04 152.25 46.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.524 HG21 ' HG2' ' A' ' 29' ' ' GLU . 25.2 t -116.55 101.27 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.875 ' CE2' HG21 ' A' ' 101' ' ' VAL . 99.2 m-85 -85.55 143.24 28.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.5 ' H ' ' CD2' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -126.43 109.95 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.838 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.532 ' CE2' HD23 ' A' ' 100' ' ' LEU . 28.4 m-85 -96.77 110.48 22.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -76.68 93.27 3.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.749 ' H ' HD12 ' A' ' 67' ' ' ILE . 5.4 mp -48.14 111.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.164 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -75.18 164.71 26.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.3 m -137.81 136.45 37.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.6 p -89.03 176.27 7.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.93 78.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.039 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.45 -53.61 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 135.85 53.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -116.66 150.96 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.8 m -114.03 139.7 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 5.8 p90 -173.06 122.45 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.739 ' O ' HG23 ' A' ' 77' ' ' VAL . 32.7 m -105.51 76.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 1.7 t -175.31 176.7 1.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -128.12 4.65 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -95.73 -33.67 12.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m -155.49 -175.04 5.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 27.9 mtm-85 -132.11 170.74 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -137.98 160.13 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.4 p -79.78 -61.94 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.7 p -120.24 175.04 6.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 89' ' ' LEU . 10.7 tp -67.31 -49.41 64.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.64 -43.77 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.205 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -75.49 -34.75 60.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.78 HD23 ' C ' ' A' ' 89' ' ' LEU . 1.5 tt -58.81 -46.41 87.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.53 ' N ' HD23 ' A' ' 89' ' ' LEU . 38.4 t -77.56 -47.42 26.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 94' ' ' SER . 51.4 t60 -56.01 -67.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 91' ' ' HIS . 8.2 t60 -36.61 -58.71 0.71 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 25.8 m-70 -49.9 -37.49 31.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' HIS . 12.0 t -43.34 -29.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.4 m -84.11 -54.07 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.0 p -132.69 136.57 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.432 ' N ' HG22 ' A' ' 103' ' ' THR . . . -56.71 -44.43 81.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 30.9 t70 61.07 25.99 15.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.4 4.23 27.05 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.532 HD23 ' CE2' ' A' ' 65' ' ' TYR . 17.9 mt -90.07 142.51 27.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.988 HG12 HD21 ' A' ' 56' ' ' LEU . 4.8 p -33.82 -36.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.042 0.448 . . . . 0.0 111.202 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.691 HG22 HG13 ' A' ' 101' ' ' VAL . 13.5 t -173.76 149.64 1.6 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.151 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 97' ' ' ALA . 4.7 p -61.7 134.16 56.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.575 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 4.6 mt -77.36 88.87 3.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -110.91 -16.68 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.743 ' CD2' HD11 ' A' ' 36' ' ' ILE . 69.6 m-85 -127.43 84.38 63.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.69 0.757 . . . . 0.0 110.886 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.533 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.84 -177.42 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -89.19 143.64 31.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.677 0.751 . . . . 0.0 111.045 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 154.18 68.03 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.674 2.249 . . . . 0.0 112.468 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -76.27 113.8 14.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.9 t -81.99 -56.59 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -101.18 85.64 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -65.81 148.23 52.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.1 m -118.28 92.26 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -40.61 153.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 117' ' ' SER . 53.7 Cg_endo -69.82 -33.95 15.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.26 . . . . 0.0 112.276 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 116' ' ' PRO . 78.4 p -36.26 123.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.833 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.7 p -105.79 135.83 46.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.51 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 57.07 40.64 28.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.815 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -89.42 -51.33 5.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.09 130.0 2.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.569 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -122.66 93.98 4.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.932 0.396 . . . . 0.0 110.809 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -165.56 134.24 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.74 -174.29 44.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 p -86.84 141.98 33.98 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.677 0.751 . . . . 0.0 111.071 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -40.32 5.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.642 2.228 . . . . 0.0 112.295 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -93.03 152.0 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -108.33 103.74 12.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.4 p -51.35 96.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 15' ' ' LYS . 3.9 pp -101.81 -13.0 17.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -55.93 83.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 13' ' ' LEU . 13.8 mmtp -69.91 -36.16 75.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -73.53 158.38 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.9 m -83.89 -39.16 20.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -73.38 -27.94 61.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -75.68 111.72 11.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.496 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.2 m-70 -116.32 40.88 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 41.58 -157.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.524 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 93.9 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 20' ' ' HIS . 91.0 t -94.88 136.67 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' ARG . 47.6 t -66.68 136.12 55.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' SER . 16.7 ttt85 -36.71 -65.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.787 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.3 t -47.11 -50.01 20.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' TYR . . . -52.74 -52.94 54.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.089 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.11 -40.06 3.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.808 ' HG2' HG21 ' A' ' 62' ' ' VAL . 25.5 mt-10 -83.11 -21.99 33.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' ALA . 37.0 t80 -74.24 -54.25 8.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.85 -53.49 48.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.5 -36.43 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -60.31 -28.79 68.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.0 t -98.59 27.81 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.808 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.591 HD21 ' HG3' ' A' ' 109' ' ' PRO . 81.3 mt -141.82 161.23 38.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.796 HD12 ' H ' ' A' ' 38' ' ' GLY . 2.7 pp -49.2 162.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -80.56 50.7 1.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.796 ' H ' HD12 ' A' ' 36' ' ' ILE . . . -168.61 31.83 0.18 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.429 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -108.59 141.53 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.822 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 107' ' ' PRO . 4.6 p90 -121.27 155.66 34.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -148.86 157.86 43.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.625 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.3 t -127.27 108.13 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -103.77 178.58 4.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -132.14 121.37 23.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -56.28 135.92 53.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -83.54 165.77 18.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m 40.78 42.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.6 p -132.99 146.43 61.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.726 0.774 . . . . 0.0 110.783 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.8 87.58 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.236 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 43.63 55.91 5.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.46 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -111.59 123.34 50.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.493 ' HB2' HD12 ' A' ' 67' ' ' ILE . 7.0 mt -112.9 170.21 8.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.4 m -164.45 151.23 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.9 mt -114.38 126.97 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.076 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.1 m -119.98 113.05 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.797 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -120.69 144.39 48.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.544 ' N ' HD12 ' A' ' 56' ' ' LEU . 8.5 tpt180 -91.39 137.61 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 61' ' ' ARG . 23.2 t80 -156.15 147.65 22.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' TYR . 5.8 pt-20 35.82 41.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.87 42.83 99.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' TYR . 76.9 mtt180 -148.88 150.11 32.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.808 HG21 ' HG2' ' A' ' 29' ' ' GLU . 18.6 t -106.5 106.96 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.807 ' CE1' HG21 ' A' ' 101' ' ' VAL . 55.0 m-85 -85.85 155.41 20.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -127.5 144.55 51.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.56 ' OH ' HG12 ' A' ' 101' ' ' VAL . 58.0 m-85 -144.68 114.55 7.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -81.04 114.86 20.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.51 HD13 ' CD1' ' A' ' 86' ' ' LEU . 33.9 mt -68.44 109.62 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -71.85 -175.67 1.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.87 131.78 6.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 74' ' ' LYS . 9.2 t -134.6 -175.41 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 70' ' ' THR . . . -36.19 142.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 62.13 26.12 15.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.784 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 44.72 62.87 2.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.466 ' HB2' ' CG2' ' A' ' 70' ' ' THR . 38.3 mttm -99.11 122.07 41.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.5 m -94.37 137.01 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.784 ' HA ' HD12 ' A' ' 89' ' ' LEU . 12.0 p90 -174.49 121.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.606 ' O ' HG23 ' A' ' 77' ' ' VAL . 30.7 m -101.28 76.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -174.49 173.11 2.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -127.2 19.51 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.051 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -117.57 -29.24 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 78' ' ' THR . 1.7 t -153.01 171.36 18.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.544 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 94.1 mtm-85 -129.69 173.68 10.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -138.03 165.58 26.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.6 m -80.23 -60.46 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.1 p -131.22 -177.33 4.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.076 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.51 ' CD1' HD13 ' A' ' 67' ' ' ILE . 10.8 tp -64.38 -56.66 12.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.72 -42.23 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -75.48 -35.21 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.819 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 76' ' ' TYR . 7.0 tt -64.01 -48.49 76.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.46 ' O ' HD12 ' A' ' 104' ' ' LEU . 54.5 t -76.4 -29.12 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -70.97 -67.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -45.77 -51.03 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -46.61 -46.23 19.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -44.07 -42.7 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.3 m -71.24 -50.67 30.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.2 p -134.47 139.03 48.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.24 -63.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.5 t70 68.67 38.02 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 116.32 -32.89 5.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.12 158.59 10.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.807 HG21 ' CE1' ' A' ' 63' ' ' TYR . 4.3 p -56.38 -34.91 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.6 t -167.08 155.72 10.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -65.9 110.92 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.22 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 90' ' ' VAL . 24.9 mt -35.91 101.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -72.99 -71.07 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -130.37 134.47 26.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.668 0.747 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.49 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.83 -177.35 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.739 2.293 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -77.97 142.49 64.72 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.551 0.691 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.591 ' HG3' HD21 ' A' ' 35' ' ' LEU . 53.9 Cg_endo -69.72 148.64 65.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.752 2.301 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.06 167.13 19.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 27.6 p -147.39 167.19 24.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.78 159.44 15.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -109.0 91.2 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.858 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.7 t -77.11 148.04 36.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.796 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.65 88.25 0.96 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.414 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.9 101.65 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.635 2.223 . . . . 0.0 112.348 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.3 m -70.94 -46.46 62.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.959 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.7 t -132.2 159.04 40.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.3 m -97.37 -47.25 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.4 t -35.61 142.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.79 127.65 0.95 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p -171.8 129.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -162.35 158.62 24.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.21 173.9 39.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.526 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.8 p -138.83 143.71 38.64 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.573 0.701 . . . . 0.0 111.116 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -13.99 35.24 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.0 114.19 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -72.08 121.26 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.0 m -146.38 176.73 9.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -113.3 80.17 1.33 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -96.5 41.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -40.71 -57.44 1.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.457 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 23.1 m-70 -69.4 142.91 53.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.3 m -64.87 -46.76 80.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.788 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.606 ' HA ' ' HB3' ' A' ' 108' ' ' ALA . 6.2 p-90 -63.36 -41.0 98.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.05 102.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -89.9 -42.05 11.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.03 -112.82 4.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.401 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 89.78 0.52 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.735 2.29 . . . . 0.0 112.378 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 43' ' ' ARG . 81.9 t -135.35 121.52 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -72.86 174.38 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 26' ' ' SER . 39.8 ptt180 -69.01 -49.06 61.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 50.3 m -68.09 -38.68 82.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.76 -52.01 65.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . -54.96 -59.92 4.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -51.68 -44.65 63.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -59.25 -41.86 89.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -53.54 52.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.992 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' A' ' 35' ' ' LEU . 36.1 mt -45.83 -48.01 15.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.943 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 t -49.34 -43.73 43.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.5 t -65.05 -48.16 74.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 32' ' ' LEU . 32.5 mt -53.96 176.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.481 HD11 ' HD2' ' A' ' 106' ' ' TYR . 14.7 pt -68.23 178.42 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -83.34 39.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.55 73.28 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -146.97 150.89 36.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.939 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 104' ' ' LEU . 1.7 p90 -125.99 151.62 46.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 42' ' ' VAL . 1.6 pp -138.42 164.05 30.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.622 HG22 HG12 ' A' ' 54' ' ' ILE . 98.8 t -131.89 112.68 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.465 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . 31.4 ptt85 -109.71 177.07 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -115.52 130.87 57.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 48' ' ' SER . 59.3 m -70.88 124.24 23.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.79 -56.34 6.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 m -64.57 -34.91 79.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 45' ' ' SER . 24.1 m -97.51 102.94 14.19 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.653 0.739 . . . . 0.0 110.838 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 150.44 68.71 Favored 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.758 2.305 . . . . 0.0 112.318 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 52.69 21.77 10.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.465 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -120.09 137.56 54.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.35 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.536 HD13 HD22 ' A' ' 86' ' ' LEU . 21.1 mt -117.55 167.38 11.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.4 m -146.32 139.74 25.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.622 HG12 HG22 ' A' ' 42' ' ' VAL . 70.6 mt -108.2 88.67 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -84.39 104.28 14.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.019 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -114.76 124.73 52.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.423 ' CZ ' ' HA2' ' A' ' 60' ' ' GLY . 10.3 tpt85 -76.01 127.64 33.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.604 ' CD2' HG21 ' A' ' 102' ' ' THR . 42.5 t80 -164.23 136.26 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.501 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 4.8 mm-40 62.18 29.52 17.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.423 ' HA2' ' CZ ' ' A' ' 57' ' ' ARG . . . 87.32 -75.34 2.16 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -57.78 144.29 38.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.16 125.61 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.871 ' CE2' HG21 ' A' ' 101' ' ' VAL . 26.5 m-85 -101.24 144.41 30.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 65' ' ' TYR . 1.9 p-80 -124.83 174.99 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 64' ' ' HIS . 95.4 m-85 -160.84 105.4 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -76.65 94.32 3.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.658 ' H ' HD12 ' A' ' 67' ' ' ILE . 3.6 mp -44.02 140.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -97.6 -177.46 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.4 m -157.54 138.99 13.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.7 p -100.44 174.98 5.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.206 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.39 -50.72 9.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.3 -59.53 3.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.2 44.31 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -99.67 122.1 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 34.3 m -89.98 136.42 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.073 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.507 ' HA ' HD12 ' A' ' 89' ' ' LEU . 9.9 p90 -172.38 120.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 77' ' ' VAL . 35.6 m -98.19 76.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 t -175.03 170.78 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.15 9.61 9.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.186 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -101.84 -43.64 5.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -142.36 -175.08 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.768 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.411 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 78.3 mtm180 -132.26 178.16 7.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.773 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -145.89 151.7 38.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.61 ' OG ' HG23 ' A' ' 85' ' ' THR . 1.1 t -63.45 -64.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.803 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.61 HG23 ' OG ' ' A' ' 84' ' ' SER . 14.4 p -135.08 179.07 6.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.536 HD22 HD13 ' A' ' 52' ' ' LEU . 11.6 tp -54.28 -56.54 17.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -34.17 -47.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -78.27 -38.6 42.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 89' ' ' LEU . 6.8 tt -53.63 -38.47 64.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.623 HG13 ' CD1' ' A' ' 104' ' ' LEU . 96.3 t -89.43 -59.95 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -46.92 -49.53 20.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -61.14 -56.94 14.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -51.62 -31.69 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 t -53.76 -16.29 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 m -92.98 -37.48 12.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.563 HG22 ' H ' ' A' ' 98' ' ' ASP . 14.7 p -139.66 143.75 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -79.77 12.73 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.563 ' H ' HG22 ' A' ' 96' ' ' VAL . 3.9 t0 -37.46 93.15 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 80.8 39.7 13.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 97' ' ' ALA . 28.2 mt -149.86 163.74 37.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.858 0.361 . . . . 0.0 110.982 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 1.019 ' CG1' HD21 ' A' ' 56' ' ' LEU . 5.8 p -64.69 -40.49 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.604 HG21 ' CD2' ' A' ' 58' ' ' TYR . 4.9 t -165.69 155.58 12.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 105' ' ' HIS . 5.8 p -61.03 109.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.094 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.623 ' CD1' HG13 ' A' ' 90' ' ' VAL . 49.4 mt -38.39 92.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 103' ' ' THR . 15.4 m170 -59.58 -69.6 0.2 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.481 ' HD2' HD11 ' A' ' 36' ' ' ILE . 29.3 m-85 -132.52 135.08 25.61 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.71 0.767 . . . . 0.0 110.903 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.439 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.72 -178.95 2.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.755 2.303 . . . . 0.0 112.347 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.606 ' HB3' ' HA ' ' A' ' 18' ' ' TRP . . . -78.45 146.96 71.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 111.066 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 161.89 44.2 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.283 . . . . 0.0 112.287 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -40.47 161.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.9 t -120.62 -51.98 2.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -120.0 126.72 51.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -122.07 83.23 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.2 p -171.81 123.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -40.42 123.44 2.25 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 159.38 53.62 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.662 2.242 . . . . 0.0 112.384 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.2 m -150.2 131.3 14.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.1 p -144.36 156.14 44.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.487 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -165.03 150.96 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 m -52.55 -56.24 16.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.93 138.51 10.29 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.8 p -155.58 162.17 40.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.946 0.403 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -174.99 146.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.12 -128.15 2.98 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.441 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -166.14 144.29 4.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.687 . . . . 0.0 111.172 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.65 -24.46 30.16 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.756 2.304 . . . . 0.0 112.356 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.9 m -99.33 166.23 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.94 121.51 26.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.97 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.0 m -140.45 129.15 23.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.655 HD12 ' H ' ' A' ' 15' ' ' LYS . 3.3 pp -69.33 -41.78 76.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.585 ' N ' HD12 ' A' ' 13' ' ' LEU . 8.1 tt0 33.24 38.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.655 ' H ' HD12 ' A' ' 13' ' ' LEU . 25.3 mmtt -108.96 33.87 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -94.24 163.47 13.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.705 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 5.1 m -86.61 -37.89 17.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.466 ' CA ' ' HB2' ' A' ' 107' ' ' PRO . 1.1 p-90 -78.88 -38.87 36.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -63.14 140.53 58.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -121.77 -33.36 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.28 -147.46 18.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 85.52 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.632 2.221 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.27 149.24 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 27' ' ' ALA . 13.1 t -102.37 143.37 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -38.76 -46.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.814 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 t -65.44 -40.61 93.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.789 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 24' ' ' SER . . . -68.43 -61.82 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.435 ' HB3' HH11 ' A' ' 43' ' ' ARG . . . -40.61 -54.99 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -53.86 -41.82 67.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' SER . 2.5 t80 -64.93 -60.35 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.446 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -41.73 -45.76 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.985 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.597 ' CD1' HD23 ' A' ' 41' ' ' LEU . 20.5 mt -77.46 -25.62 50.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.922 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' TYR . 37.2 t -73.47 1.91 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.6 m -121.11 27.22 8.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.731 HD21 ' HG3' ' A' ' 109' ' ' PRO . 20.7 mt -136.41 -177.35 4.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.647 HD11 ' CD2' ' A' ' 106' ' ' TYR . 24.2 pt -69.42 -178.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -93.29 39.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.55 52.77 0.42 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.393 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.4 m -135.99 158.32 44.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 104' ' ' LEU . 7.0 p90 -141.11 161.35 38.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -149.69 156.27 41.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.635 ' N ' HD12 ' A' ' 41' ' ' LEU . 92.4 t -122.89 102.58 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.435 HH11 ' HB3' ' A' ' 28' ' ' ALA . 23.8 ptt180 -96.97 172.14 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.548 ' HG3' HD23 ' A' ' 52' ' ' LEU . 33.2 tt0 -111.28 122.87 48.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.8 t -39.2 142.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -91.4 -57.94 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.7 t -54.59 -55.64 27.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.799 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 t -94.34 115.96 65.85 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.689 0.757 . . . . 0.0 110.829 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 125.51 12.25 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.676 2.25 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.18 -38.73 3.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -55.73 156.49 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.852 ' HB2' HD12 ' A' ' 67' ' ' ILE . 8.3 mt -137.51 168.7 19.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 m -162.48 146.14 11.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.426 HD11 HD21 ' A' ' 89' ' ' LEU . 20.0 mt -102.28 99.08 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.9 m -91.59 102.45 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.694 HD21 ' HB ' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -104.82 138.42 41.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -96.51 104.45 16.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.674 ' HB2' HD11 ' A' ' 56' ' ' LEU . 89.8 t80 -116.96 157.01 26.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' TYR . 22.8 mt-10 -38.08 95.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.826 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 140.38 -99.56 0.25 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.541 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -131.69 167.67 19.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.2 t -74.33 123.11 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.654 ' CD2' HG21 ' A' ' 101' ' ' VAL . 12.5 m-85 -109.29 121.51 45.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -101.14 142.29 32.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.893 ' OH ' HG23 ' A' ' 101' ' ' VAL . 89.5 m-85 -120.17 89.48 3.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -47.43 141.68 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.852 HD12 ' HB2' ' A' ' 52' ' ' LEU . 64.7 mt -102.0 124.02 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -86.03 -174.98 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.5 m -155.99 138.53 14.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.7 p -89.46 175.0 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.67 -51.73 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.039 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.97 -69.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.826 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 163.98 45.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.535 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -101.35 124.49 47.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.382 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.2 m -97.74 146.24 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 13.6 p90 -174.74 120.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 77' ' ' VAL . 32.8 m -96.5 76.34 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -175.12 169.46 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -123.67 27.31 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -126.92 -41.15 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -135.98 -175.71 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.579 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 43.3 mtm-85 -139.87 176.36 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -141.73 173.47 11.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.1 p -91.45 -63.08 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.8 p -122.73 172.59 8.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.43 -47.8 82.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 91' ' ' HIS . . . -44.76 -43.2 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -74.42 -35.16 63.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.79 HD23 ' C ' ' A' ' 89' ' ' LEU . 1.6 tt -59.74 -49.23 78.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.577 ' N ' HD23 ' A' ' 89' ' ' LEU . 47.4 t -79.69 -33.69 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.4 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 45.7 t60 -65.48 -59.06 4.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -51.53 -51.19 57.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.47 ' CD2' HD11 ' A' ' 100' ' ' LEU . 12.8 m-70 -52.26 -33.29 41.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 t -52.24 -28.27 18.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.2 m -83.55 -47.01 11.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.059 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 98' ' ' ASP . 7.8 p -141.4 144.22 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -51.55 -47.17 63.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.42 ' HB3' ' CE1' ' A' ' 93' ' ' HIS . 31.4 t70 52.6 33.56 13.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.814 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.27 41.52 2.05 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 93' ' ' HIS . 69.4 mt -140.59 149.67 42.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 0.0 110.897 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.893 HG23 ' OH ' ' A' ' 65' ' ' TYR . 44.4 t -36.69 -45.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.9 t -174.69 143.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 p -43.18 158.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 10.3 mt -91.23 124.15 35.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -106.12 -66.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.647 ' CD2' HD11 ' A' ' 36' ' ' ILE . 15.3 m-85 -109.06 108.58 60.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.641 0.734 . . . . 0.0 110.964 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.501 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.3 Cg_endo -69.82 -38.59 7.45 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.687 2.258 . . . . 0.0 112.407 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -175.16 139.35 0.6 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.094 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.731 ' HG3' HD21 ' A' ' 35' ' ' LEU . 54.6 Cg_endo -69.68 -173.85 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.371 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -119.25 70.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 27.2 p -82.28 -42.32 18.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -138.81 162.41 34.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -116.67 127.48 54.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.4 t -54.29 128.8 32.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -147.07 -174.4 19.1 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 124.14 10.8 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.629 2.219 . . . . 0.0 112.391 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 118' ' ' SER . 25.7 p -125.33 41.79 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 117' ' ' SER . 2.3 m -36.34 123.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.458 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.47 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.412 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -39.42 130.93 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.864 0.364 . . . . 0.0 110.779 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -151.33 157.75 42.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.3 75.14 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.443 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -98.57 101.43 12.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.812 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 m -79.88 -45.78 18.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.0 -108.83 2.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.1 p -122.25 148.75 53.0 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 -22.24 31.86 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.686 2.258 . . . . 0.0 112.315 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.13 -42.7 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -165.61 155.44 12.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.804 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -121.57 127.89 51.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 91.3 mt -73.46 -49.54 26.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 15' ' ' LYS . 7.4 tt0 -41.81 -42.75 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 14' ' ' GLU . 32.2 mttm -34.4 -37.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 14' ' ' GLU . 29.7 m170 -45.32 164.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -97.72 -25.06 15.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.789 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.48 ' CD2' HG11 ' A' ' 90' ' ' VAL . 2.2 p-90 -89.25 -29.96 18.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -78.4 110.46 13.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.952 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.54 ' CE1' ' HG ' ' A' ' 111' ' ' CYS . 4.1 m-70 -103.78 -44.25 5.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.812 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.56 -108.08 3.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 95.53 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.383 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.406 ' O ' ' CZ ' ' A' ' 43' ' ' ARG . 59.8 t -130.24 123.68 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.7 m -66.75 143.82 56.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -43.42 -45.58 6.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.5 m -69.0 -61.28 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.64 -41.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.34 -62.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.075 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.817 ' HG2' HG21 ' A' ' 62' ' ' VAL . 32.4 mt-10 -57.08 -49.88 74.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -51.78 -61.29 2.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.433 ' CD2' HD11 ' A' ' 35' ' ' LEU . 2.4 tt -41.22 -43.54 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.453 HD21 HD23 ' A' ' 41' ' ' LEU . 69.9 mt -69.29 -58.67 3.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.5 p -42.24 -49.64 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.7 m -62.53 -49.77 74.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.433 HD11 ' CD2' ' A' ' 31' ' ' LEU . 37.7 mt -55.25 171.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.619 HD11 ' HD2' ' A' ' 106' ' ' TYR . 7.9 pt -56.07 179.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -86.33 43.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.64 73.07 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.6 m -145.19 142.14 29.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 107' ' ' PRO . 4.0 p90 -121.76 157.94 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.61 ' CB ' ' HB2' ' A' ' 108' ' ' ALA . 0.7 OUTLIER -152.11 156.17 39.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.544 ' N ' HD12 ' A' ' 41' ' ' LEU . 71.5 t -124.0 122.13 63.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' CZ ' ' O ' ' A' ' 23' ' ' VAL . 6.4 ptm180 -124.34 179.42 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -116.89 152.69 33.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 m -100.96 124.65 46.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -63.72 -46.69 84.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.5 t -34.09 -50.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -122.9 130.06 24.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.703 0.763 . . . . 0.0 110.804 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 8.7 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.729 2.286 . . . . 0.0 112.323 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.0 40.82 0.65 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.435 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -128.45 89.95 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.357 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.774 ' HB3' HD12 ' A' ' 67' ' ' ILE . 4.4 mm? -83.32 170.34 14.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.2 m -163.21 146.21 10.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.917 HD11 HD21 ' A' ' 89' ' ' LEU . 19.3 mt -105.03 101.56 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 m -94.23 96.74 9.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.847 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -110.8 130.66 55.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -79.78 134.84 36.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.787 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.481 ' CE2' ' HG3' ' A' ' 59' ' ' GLU . 74.8 t80 -157.95 123.64 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.481 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 8.1 mt-10 62.9 35.11 13.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.3 39.65 87.72 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.431 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -152.71 147.66 26.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.817 HG21 ' HG2' ' A' ' 29' ' ' GLU . 15.2 t -100.54 114.55 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.826 ' CE2' HG21 ' A' ' 101' ' ' VAL . 55.3 m-85 -101.53 120.86 40.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -102.87 140.68 36.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.805 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.515 ' OH ' HG12 ' A' ' 101' ' ' VAL . 80.4 m-85 -127.77 100.03 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -55.21 114.66 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 52' ' ' LEU . 17.5 mt -69.49 116.36 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -83.8 178.86 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.2 m -152.67 135.23 15.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 p -93.0 -174.9 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -42.99 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -47.91 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.77 30.92 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.56 135.3 35.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.479 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 21.0 m -106.63 134.53 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.529 ' HA ' HD12 ' A' ' 89' ' ' LEU . 11.0 p90 -163.54 125.19 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.925 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.752 ' O ' HG23 ' A' ' 77' ' ' VAL . 29.1 m -105.01 75.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 81' ' ' SER . 1.3 t -175.21 169.32 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -120.06 22.34 11.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -114.78 -33.56 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 78' ' ' THR . 1.6 t -159.34 173.32 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.441 ' HG2' ' CD1' ' A' ' 76' ' ' TYR . 99.2 mtt180 -121.02 175.1 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -139.64 130.04 25.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.5 m -53.22 -54.5 35.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.3 p -126.04 171.98 10.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.197 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.9 tp -64.69 -38.84 92.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.55 -37.39 57.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.062 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 33.2 mt-10 -79.82 -21.7 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.917 HD21 HD11 ' A' ' 54' ' ' ILE . 1.2 tt -72.22 -40.81 67.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.597 HG13 HD13 ' A' ' 104' ' ' LEU . 97.9 t -90.36 -35.29 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -70.45 -35.89 73.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 51.1 t60 -77.97 -40.71 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -67.93 -26.32 65.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.2 p -59.9 -25.11 64.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 53.0 m -86.02 -50.82 6.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.512 ' C ' HG22 ' A' ' 103' ' ' THR . 11.7 p -134.21 145.13 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.35 -56.22 15.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 t70 60.42 44.05 12.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 109.97 -28.99 9.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.503 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 100' ' ' LEU . 15.6 mt -63.83 158.37 22.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.847 ' CG1' HD21 ' A' ' 56' ' ' LEU . 7.6 p -54.12 -37.28 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.165 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.5 t -173.27 149.57 1.78 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.084 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.512 HG22 ' C ' ' A' ' 96' ' ' VAL . 4.4 p -60.52 153.92 22.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.597 HD13 HG13 ' A' ' 90' ' ' VAL . 6.7 mt -89.66 135.69 33.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.424 ' ND1' ' N ' ' A' ' 105' ' ' HIS . 1.1 p-80 -130.36 -62.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.619 ' HD2' HD11 ' A' ' 36' ' ' ILE . 1.4 m-30 -110.83 99.81 43.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.711 0.767 . . . . 0.0 110.929 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.74 -178.38 2.31 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.61 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . . . -68.76 143.46 94.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 111.108 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 148.49 65.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.268 . . . . 0.0 112.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -67.71 104.37 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.966 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.54 ' HG ' ' CE1' ' A' ' 20' ' ' HIS . 32.0 p -79.75 45.21 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -135.02 121.12 19.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt 59.26 41.32 20.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.6 t -63.98 -51.05 66.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.816 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 117.56 145.13 7.92 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.431 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.94 36.83 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.376 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.0 p -152.9 117.0 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.5 m -46.16 122.32 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.427 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -169.79 135.45 1.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 p -160.65 166.13 29.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.25 119.3 2.56 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.432 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 t -160.04 157.63 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.849 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 m -126.74 170.65 11.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.82 -56.54 0.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.526 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -41.3 144.0 0.75 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.635 0.731 . . . . 0.0 111.054 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.65 -29.4 24.47 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.308 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.7 m -138.33 168.38 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -113.68 44.43 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.5 m -58.79 -49.2 78.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.93 -62.33 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -82.79 70.85 9.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -57.94 -46.14 85.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -65.77 160.32 23.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.549 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 36.8 m -89.59 -43.92 10.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.832 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.5 p-90 -61.98 -41.53 98.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -64.91 126.1 26.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -115.7 -41.48 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 22' ' ' PRO . . . 111.9 -127.46 8.12 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.513 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.41 ' HD2' ' HA3' ' A' ' 21' ' ' GLY . 53.6 Cg_endo -69.77 104.51 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.661 2.241 . . . . 0.0 112.299 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.6 t -139.75 137.08 39.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.7 m -73.18 169.38 17.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.783 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.6 ptt-85 -72.06 -40.01 68.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.9 p -76.24 -38.79 55.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.41 -46.51 82.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.613 ' O ' HD12 ' A' ' 32' ' ' LEU . . . -58.19 -22.9 53.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HA ' HG21 ' A' ' 62' ' ' VAL . 58.7 mt-10 -83.38 -43.06 16.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -76.36 -57.45 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.484 HD23 ' HG ' ' A' ' 35' ' ' LEU . 2.3 tt -41.11 -58.73 1.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 28' ' ' ALA . 82.0 mt -45.37 -50.18 12.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 p -66.13 -30.43 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -71.89 -36.18 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.546 HD22 ' CG ' ' A' ' 109' ' ' PRO . 64.8 mt -59.95 -75.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.627 ' CD1' ' CD2' ' A' ' 106' ' ' TYR . 6.6 pt -137.19 -175.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -51.13 -46.18 61.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.966 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.73 95.89 0.15 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.571 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.37 160.39 17.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.909 0.385 . . . . 0.0 110.779 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.701 ' CG ' HD22 ' A' ' 104' ' ' LEU . 3.1 p90 -121.55 134.25 55.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.648 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -134.46 151.37 51.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.576 ' N ' HD12 ' A' ' 41' ' ' LEU . 88.6 t -111.31 108.37 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -92.84 173.43 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -129.06 113.83 15.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.4 p -48.08 145.41 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.65 -75.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 t -79.3 62.97 3.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -168.45 163.13 8.52 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.658 0.742 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -162.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.688 2.259 . . . . 0.0 112.308 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.64 65.73 0.81 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -107.09 97.53 7.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.775 ' HB3' HD12 ' A' ' 67' ' ' ILE . 16.9 mt -85.04 157.34 20.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -152.78 151.54 30.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.623 HD11 HD21 ' A' ' 89' ' ' LEU . 37.9 mt -111.86 99.42 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.229 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.0 m -90.98 104.06 16.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.075 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -116.01 137.0 52.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.62 115.35 27.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.5 ' CG ' HG21 ' A' ' 102' ' ' THR . 34.7 t80 -147.22 140.8 25.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 59.56 45.35 13.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.73 38.18 71.77 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.0 mtm-85 -155.19 150.95 27.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.457 ' O ' HG12 ' A' ' 62' ' ' VAL . 21.8 t -107.94 96.98 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 1.123 ' CE2' HG21 ' A' ' 101' ' ' VAL . 53.5 m-85 -79.86 162.88 24.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.508 ' O ' ' CG ' ' A' ' 65' ' ' TYR . 1.7 p-80 -133.33 170.25 15.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.76 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.619 ' OH ' HG12 ' A' ' 101' ' ' VAL . 70.1 m-85 -160.78 110.16 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -72.96 114.15 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.833 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.775 HD12 ' HB3' ' A' ' 52' ' ' LEU . 58.0 mt -71.71 120.37 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -82.64 172.04 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.9 m -149.9 136.12 18.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.6 p -93.5 176.71 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.186 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.13 -55.16 8.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -63.95 -60.06 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 146.72 43.75 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.456 ' CD ' ' HA ' ' A' ' 84' ' ' SER . 34.0 mmtm -97.04 122.58 40.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.7 133.79 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 13.1 p90 -168.68 119.81 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 77' ' ' VAL . 35.3 m -98.88 76.5 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -174.99 171.89 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.45 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -125.45 28.37 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -131.12 -34.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.973 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.5 m -141.11 176.71 8.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.567 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 40.2 mtm-85 -138.94 175.0 9.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -141.17 160.03 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.456 ' HA ' ' CD ' ' A' ' 74' ' ' LYS . 29.6 m -80.33 -63.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.4 p -120.62 178.85 4.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.137 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.409 ' CD1' HD13 ' A' ' 67' ' ' ILE . 13.5 tp -71.93 -43.22 65.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.79 -24.43 2.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -92.24 -33.52 14.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.623 HD21 HD11 ' A' ' 54' ' ' ILE . 4.2 tt -62.27 -40.02 94.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.734 HG13 ' CD1' ' A' ' 104' ' ' LEU . 72.9 t -86.96 -37.24 11.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -66.94 -33.12 74.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -79.47 -57.75 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.514 ' CG ' ' CD1' ' A' ' 100' ' ' LEU . 22.5 m-70 -48.96 -31.15 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.3 p -54.28 -35.83 62.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.6 m -76.05 -54.03 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.531 ' C ' HG22 ' A' ' 103' ' ' THR . 7.7 p -131.77 140.78 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.532 ' N ' HG22 ' A' ' 103' ' ' THR . . . -48.28 -54.05 15.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.4 t0 56.31 32.49 20.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 105.25 31.99 4.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.514 ' CD1' ' CG ' ' A' ' 93' ' ' HIS . 41.6 mt -129.45 142.72 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 1.123 HG21 ' CE2' ' A' ' 63' ' ' TYR . 4.9 p -35.15 -41.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.5 HG21 ' CG ' ' A' ' 58' ' ' TYR . 14.7 t -173.99 142.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.532 HG22 ' N ' ' A' ' 97' ' ' ALA . 41.0 p -49.79 121.89 5.83 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.216 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.734 ' CD1' HG13 ' A' ' 90' ' ' VAL . 56.7 mt -42.57 111.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -75.25 -73.73 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.627 ' CD2' ' CD1' ' A' ' 36' ' ' ILE . 54.9 m-85 -123.77 120.98 26.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.642 0.734 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.527 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.78 -50.36 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -175.17 137.61 0.56 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.635 0.731 . . . . 0.0 111.051 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.546 ' CG ' HD22 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.84 171.09 15.19 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.688 2.259 . . . . 0.0 112.297 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -94.3 48.48 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 81.4 m -98.06 93.82 6.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -128.17 118.67 23.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 110.83 9.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.3 m -67.61 138.6 56.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.794 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -137.3 68.96 0.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 0.31 5.74 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.753 2.302 . . . . 0.0 112.361 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.9 m -95.07 54.95 1.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.0 m -154.22 119.95 5.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.455 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -79.37 128.77 33.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.798 0.332 . . . . 0.0 110.832 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -110.15 179.5 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.91 44.2 7.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -56.36 152.42 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.821 0.343 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -154.77 148.52 25.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.73 -174.11 19.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.2 p -71.57 142.88 86.8 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.504 0.669 . . . . 0.0 111.184 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.63 -34.7 14.46 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.671 2.248 . . . . 0.0 112.395 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.3 m -113.15 136.5 49.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -112.72 142.06 45.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.9 m -109.4 -42.2 4.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.441 ' H ' HD12 ' A' ' 13' ' ' LEU . 5.4 mp -51.99 -52.15 52.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -115.73 89.0 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -86.99 -51.75 5.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 69.1 m-70 -47.92 159.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.1 m -85.4 -41.88 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.8 p-90 -63.11 -46.26 88.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -49.3 119.41 3.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.969 0.414 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -101.29 -43.12 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.831 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.75 -148.67 18.64 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.433 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 100.7 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.395 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -132.41 135.61 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.8 p -86.6 162.01 18.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.6 mtm180 -48.18 -62.04 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.6 m -51.06 -64.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.3 -56.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.96 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.61 -59.31 3.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.061 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -45.5 -47.7 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 31' ' ' LEU . 8.0 t80 -63.55 -64.29 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.457 ' N ' ' CD1' ' A' ' 30' ' ' TYR . 12.4 mt -41.71 -53.54 3.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.896 HD21 HD23 ' A' ' 41' ' ' LEU . 15.2 mt -60.73 -36.7 79.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.8 t -52.73 -50.5 63.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.8 m -68.4 -45.29 73.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.699 HD21 ' HG3' ' A' ' 109' ' ' PRO . 15.6 mt -52.81 170.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.454 HD11 ' HD2' ' A' ' 106' ' ' TYR . 19.3 pt -64.44 176.96 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' CG ' ' N ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -75.31 -48.61 22.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.445 ' N ' ' CG ' ' A' ' 37' ' ' ASN . . . -83.03 58.13 5.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.6 p -126.47 134.14 51.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.756 ' CG ' HD22 ' A' ' 104' ' ' LEU . 3.1 p90 -130.88 134.16 46.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.896 HD23 HD21 ' A' ' 32' ' ' LEU . 2.3 pp -131.02 155.84 46.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.423 HG22 HG12 ' A' ' 54' ' ' ILE . 59.4 t -115.19 102.62 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.7 ptt85 -97.69 176.9 5.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -115.46 143.5 45.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 m -74.11 151.69 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.9 -32.67 13.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.1 t -44.31 -57.67 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.794 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.0 m -138.63 143.98 40.25 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.7 0.762 . . . . 0.0 110.781 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 150.13 67.64 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.3 -46.61 2.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -57.7 145.34 34.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.984 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' C ' HD13 ' A' ' 67' ' ' ILE . 9.6 mt -135.25 165.73 24.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m -151.65 160.15 43.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.423 HG12 HG22 ' A' ' 42' ' ' VAL . 87.9 mt -119.09 106.88 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.6 m -108.31 119.52 39.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.8 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.048 HD21 HG12 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -131.3 138.79 49.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.456 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.8 mmt180 -89.29 141.35 28.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -170.19 119.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.98 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 74.92 27.12 1.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.93 38.41 64.72 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.401 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -146.79 152.55 38.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.82 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.94 108.44 24.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.714 ' CE2' HG21 ' A' ' 101' ' ' VAL . 32.1 m-85 -102.79 117.6 34.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -107.14 141.3 38.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.413 ' CE1' ' HB3' ' A' ' 63' ' ' TYR . 2.3 m-85 -135.48 106.16 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.584 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -65.45 169.78 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.807 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.456 HD13 ' C ' ' A' ' 52' ' ' LEU . 4.5 mp -108.24 125.03 64.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.462 ' OD1' ' NE ' ' A' ' 66' ' ' ARG . 81.4 m-20 -90.67 132.42 35.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.6 m -108.67 140.52 41.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' ALA . 62.2 p -98.65 165.37 11.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' THR . . . -34.12 -66.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.138 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.07 -60.61 3.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.38 70.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' CD ' ' HA ' ' A' ' 84' ' ' SER . 30.2 mmtm -122.39 122.47 39.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.315 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.0 m -91.11 133.75 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.64 ' HA ' HD12 ' A' ' 89' ' ' LEU . 30.5 p90 -168.69 131.11 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.941 HG13 HD11 ' A' ' 89' ' ' LEU . 28.5 m -107.17 74.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 81' ' ' SER . 1.4 t -177.53 133.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.78 4.0 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -92.06 -47.89 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.446 ' O ' HG23 ' A' ' 78' ' ' THR . 9.8 m -140.33 -175.02 4.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.532 ' HG2' ' CZ ' ' A' ' 76' ' ' TYR . 77.6 mtm180 -132.72 173.39 11.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.832 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 89' ' ' LEU . 56.3 m-85 -137.07 -178.16 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.423 ' HA ' ' CD ' ' A' ' 74' ' ' LYS . 19.4 m -104.19 -52.43 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.2 p -123.65 179.94 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.1 tp -74.25 -34.44 63.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.92 79.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -75.11 -42.14 57.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.941 HD11 HG13 ' A' ' 77' ' ' VAL . 1.3 tt -53.22 -51.21 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.596 ' N ' HD23 ' A' ' 89' ' ' LEU . 57.7 t -74.42 -50.94 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.172 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' A' ' 94' ' ' SER . 79.0 t60 -53.06 -63.09 1.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -38.46 -67.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.557 ' CG ' HD22 ' A' ' 100' ' ' LEU . 22.4 m-70 -41.55 -42.8 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 8.2 t -34.8 -41.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 73.8 m -73.3 -63.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.442 ' C ' HG22 ' A' ' 103' ' ' THR . 11.6 p -118.89 141.37 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.158 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.452 ' N ' HG22 ' A' ' 103' ' ' THR . . . -60.56 -48.89 79.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.3 t70 46.25 29.42 0.83 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.22 -56.57 0.68 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.546 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.557 HD22 ' CG ' ' A' ' 93' ' ' HIS . 4.4 mp -41.63 151.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 1.048 HG12 HD21 ' A' ' 56' ' ' LEU . 12.5 p -50.9 -31.6 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.6 t -174.48 135.61 0.43 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 97' ' ' ALA . 16.0 p -38.85 110.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.204 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.756 HD22 ' CG ' ' A' ' 40' ' ' PHE . 84.1 mt -41.0 106.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -79.42 -73.31 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.454 ' HD2' HD11 ' A' ' 36' ' ' ILE . 30.1 m-85 -118.05 124.35 28.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.701 0.762 . . . . 0.0 110.975 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.486 ' HB2' ' N ' ' A' ' 18' ' ' TRP . 52.5 Cg_endo -69.83 -49.06 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -162.81 148.02 9.67 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 111.105 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.699 ' HG3' HD21 ' A' ' 35' ' ' LEU . 53.7 Cg_endo -69.85 166.49 27.54 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 0.0 112.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -82.18 89.15 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 86.6 m -83.21 -44.17 15.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -80.03 77.4 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -133.8 34.49 3.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.0 t -80.91 83.66 6.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 42.61 -157.84 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.572 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -20.99 33.93 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.754 2.303 . . . . 0.0 112.401 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.2 t -93.27 77.63 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.3 p -61.5 164.02 6.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.226 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 p -126.42 165.04 19.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.351 . . . . 0.0 110.92 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -128.23 146.58 50.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.77 -157.61 11.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.568 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -54.22 170.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -38.79 158.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.835 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.0 107.47 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.541 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.777 HG21 ' HB2' ' A' ' 12' ' ' SER . 4.4 t -102.15 141.04 21.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.691 0.758 . . . . 0.0 111.044 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -33.94 15.61 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.763 2.309 . . . . 0.0 112.286 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.558 HG22 ' N ' ' A' ' 11' ' ' ASN . 14.7 p -123.24 163.59 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.154 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.558 ' N ' HG22 ' A' ' 10' ' ' VAL . 34.9 m120 -40.02 140.21 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.777 ' HB2' HG21 ' A' ' 8' ' ' THR . 3.8 m -150.12 -178.25 6.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 10.7 mt -105.64 -31.0 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.61 -2.11 8.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.882 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 14' ' ' GLU . 54.4 mttt -34.23 -37.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 5.2 m-70 -34.6 123.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.6 m -66.95 -40.31 87.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 4.6 p-90 -66.55 -34.26 77.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.414 ' CB ' ' HB2' ' A' ' 16' ' ' HIS . 69.2 t80 -67.62 74.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.484 ' CE1' ' O ' ' A' ' 109' ' ' PRO . 5.8 m-70 -82.07 41.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 38.4 -153.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.51 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 136.01 32.02 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.724 2.283 . . . . 0.0 112.386 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.481 HG12 ' HB3' ' A' ' 27' ' ' ALA . 52.5 t -142.43 146.42 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.1 m -75.15 154.51 37.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -48.84 -67.57 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -52.58 -39.54 61.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.481 ' HB3' HG12 ' A' ' 23' ' ' VAL . . . -54.2 -64.93 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.626 ' HB2' ' HD2' ' A' ' 43' ' ' ARG . . . -37.24 -59.07 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -47.99 -44.02 30.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -66.52 -56.54 10.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mp -39.81 -29.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' A' ' 57' ' ' ARG . 11.8 mt -89.03 -54.45 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.974 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m 38.05 37.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 77.2 p 52.7 51.69 15.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.3 mt -42.59 -68.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 106' ' ' TYR . 6.6 pt -127.58 -177.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' ILE . 4.6 p-10 -34.28 -35.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ILE . . . -171.82 107.46 0.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.498 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.3 m -116.18 155.31 28.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -132.95 164.44 26.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -154.4 155.48 35.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.57 ' N ' HD12 ' A' ' 41' ' ' LEU . 43.4 t -122.63 114.53 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.626 ' HD2' ' HB2' ' A' ' 28' ' ' ALA . 5.3 ptm180 -118.95 173.65 6.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -116.4 167.08 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.7 t -106.7 137.58 44.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' SER . 31.2 mt-10 -79.12 174.4 11.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.7 t 34.13 37.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.6 m -141.06 161.94 50.83 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.833 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HG2' ' CG ' ' A' ' 51' ' ' GLN . 52.9 Cg_endo -69.83 -162.98 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.07 64.63 1.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.543 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.416 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 8.2 mt-30 -103.43 170.15 8.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.957 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.675 ' CB ' HD12 ' A' ' 67' ' ' ILE . 95.6 mt -147.39 164.48 33.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.2 t -154.15 140.05 18.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.663 HD11 HD21 ' A' ' 89' ' ' LEU . 32.4 mt -109.17 104.22 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.6 m -100.43 97.91 8.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.121 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.5 OUTLIER -110.69 122.7 48.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.575 ' HB2' HD13 ' A' ' 32' ' ' LEU . 4.2 tmt_? -93.02 98.59 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.606 ' CE1' ' HG2' ' A' ' 59' ' ' GLU . 8.5 t80 -97.41 155.28 16.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.606 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 2.1 pt-20 -31.77 93.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 146.63 -85.3 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -141.29 176.09 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.6 t -84.81 114.27 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.84 ' CE2' HG21 ' A' ' 101' ' ' VAL . 16.4 m-85 -97.07 160.7 14.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 65' ' ' TYR . 2.6 p80 -138.87 174.15 10.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.545 ' OH ' HG12 ' A' ' 101' ' ' VAL . 82.9 m-85 -158.29 123.84 4.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -84.22 101.82 12.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.675 HD12 ' CB ' ' A' ' 52' ' ' LEU . 71.3 mt -61.59 106.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -60.86 -178.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -151.97 137.17 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.0 p -107.38 176.63 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.18 92.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 73' ' ' GLY . 4.6 t70 -80.8 43.34 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 72' ' ' ASP . . . 34.6 65.46 0.37 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -118.46 152.78 35.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.828 0.346 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.19 135.38 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.656 ' HA ' HD12 ' A' ' 89' ' ' LEU . 9.0 p90 -173.99 124.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.704 ' O ' HG23 ' A' ' 77' ' ' VAL . 33.5 m -104.27 76.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.045 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 1.7 t -175.27 176.66 2.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -128.32 3.91 5.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -94.26 -32.29 13.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -154.54 179.88 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 78.3 mtm-85 -132.55 165.65 23.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -129.98 158.47 39.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.6 m -85.8 -58.39 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.9 p -120.33 171.27 8.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 89' ' ' LEU . 29.4 tp -61.62 -53.88 50.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 91' ' ' HIS . . . -40.41 -37.4 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -76.32 -33.74 59.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.41 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.663 HD21 HD11 ' A' ' 54' ' ' ILE . 1.1 tt -69.56 -47.26 64.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.616 ' N ' HD23 ' A' ' 89' ' ' LEU . 61.3 t -75.63 -27.52 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 81.7 t60 -78.51 -60.8 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -51.26 -51.13 56.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 7.0 m-70 -51.95 -35.27 45.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -52.7 -27.14 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.807 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.4 m -83.3 -62.27 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.557 HG22 ' H ' ' A' ' 98' ' ' ASP . 7.1 p -121.94 136.92 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.678 ' N ' HG22 ' A' ' 103' ' ' THR . . . -50.62 -40.98 54.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.557 ' H ' HG22 ' A' ' 96' ' ' VAL . 4.5 t70 46.84 50.04 13.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.83 33.7 9.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.463 HD23 ' CE2' ' A' ' 65' ' ' TYR . 33.6 mt -127.28 154.35 45.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 1.121 ' CG1' HD21 ' A' ' 56' ' ' LEU . 6.0 p -49.7 -38.01 12.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.8 t -174.17 140.72 0.7 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.101 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.678 HG22 ' N ' ' A' ' 97' ' ' ALA . 57.0 p -53.56 120.43 6.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 mt -40.37 109.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -79.11 -72.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.544 ' CD1' HD11 ' A' ' 36' ' ' ILE . 40.8 m-85 -130.54 132.72 24.16 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 121.706 0.765 . . . . 0.0 110.88 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -178.21 2.24 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.8 137.48 54.27 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.562 0.696 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.484 ' O ' ' CE1' ' A' ' 20' ' ' HIS . 54.1 Cg_endo -69.74 174.04 10.06 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.629 2.219 . . . . 0.0 112.324 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -59.92 141.99 54.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 31.2 p -110.5 52.17 0.74 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -62.94 159.74 16.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 110.13 14.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' GLY . 34.2 t -70.79 140.5 51.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 114' ' ' SER . . . -37.75 99.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -175.37 1.12 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.732 2.288 . . . . 0.0 112.34 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.0 t -126.46 145.98 50.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.7 m -52.38 140.67 21.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -155.37 142.42 19.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -43.3 -59.49 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.75 161.93 32.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -95.92 167.64 11.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.876 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 p -50.74 -57.24 8.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.25 131.25 3.69 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.548 ' OG1' HG22 ' A' ' 10' ' ' VAL . 1.8 t -130.77 140.85 39.93 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.627 0.727 . . . . 0.0 111.102 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.19 35.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.64 2.227 . . . . 0.0 112.373 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.548 HG22 ' OG1' ' A' ' 8' ' ' THR . 3.0 m -73.23 -31.03 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.174 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 10' ' ' VAL . 5.3 p-10 34.6 50.42 0.42 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.527 ' H ' HG23 ' A' ' 10' ' ' VAL . 53.7 p -115.28 -45.95 2.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' SER . 3.9 mp -34.98 -59.22 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -99.12 87.37 3.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -72.61 -48.48 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.541 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 21.8 m80 -76.66 157.15 32.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.7 m -73.65 -40.79 63.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.546 ' HA ' ' HB3' ' A' ' 108' ' ' ALA . 2.9 p-90 -68.32 -38.17 81.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -59.72 104.95 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.976 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.558 ' CD2' ' CB ' ' A' ' 108' ' ' ALA . 4.9 m-70 -116.08 46.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . 35.65 -151.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 125.31 11.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.579 2.186 . . . . 0.0 112.378 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t -135.25 132.42 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.3 t -79.51 152.29 30.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -47.25 -50.82 20.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.2 t -54.67 -49.04 71.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.02 92.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -54.36 47.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.731 ' HG2' HG21 ' A' ' 62' ' ' VAL . 57.1 mt-10 -61.69 -51.5 68.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -54.06 -67.53 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 mt -38.89 -52.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 35' ' ' LEU . 61.8 mt -59.09 -44.31 91.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' LEU . 3.5 t -36.11 -53.24 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 t -68.39 -48.14 65.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 32' ' ' LEU . 51.5 mt -52.23 161.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.676 HD11 ' HD2' ' A' ' 106' ' ' TYR . 25.5 pt -66.9 157.83 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -76.66 50.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.23 -35.47 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -63.65 156.32 27.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.438 . . . . 0.0 110.791 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 104' ' ' LEU . 5.6 p90 -130.62 174.85 9.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.2 pp -158.72 152.3 23.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG22 HG12 ' A' ' 54' ' ' ILE . 95.0 t -112.05 109.75 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.4 ptt85 -102.71 -179.28 3.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -121.0 151.75 39.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.418 ' CB ' ' HB2' ' A' ' 51' ' ' GLN . 1.3 t -67.33 139.26 57.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -94.15 -48.4 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.7 m -47.46 -59.14 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.772 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.0 m -117.01 129.73 25.11 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.634 0.73 . . . . 0.0 110.898 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 130.67 19.75 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.707 2.271 . . . . 0.0 112.327 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.54 -42.11 2.01 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.39 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.418 ' HB2' ' CB ' ' A' ' 45' ' ' SER . 9.6 mm-40 -61.26 141.15 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 110.841 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.517 ' C ' HD13 ' A' ' 67' ' ' ILE . 11.2 mt -126.59 159.4 33.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 p -154.81 149.54 26.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.413 HG12 HG22 ' A' ' 42' ' ' VAL . 18.5 mt -104.88 103.38 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -92.59 106.23 18.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.748 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -113.43 129.36 56.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' HB2' HD22 ' A' ' 32' ' ' LEU . 12.0 tpt180 -80.28 138.52 36.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.536 ' CD2' ' CG1' ' A' ' 101' ' ' VAL . 41.6 t80 -169.25 148.46 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.024 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 43.5 43.38 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.11 38.61 77.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.562 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -142.31 168.36 19.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.731 HG21 ' HG2' ' A' ' 29' ' ' GLU . 96.6 t -123.14 91.86 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.697 ' CD2' HG21 ' A' ' 101' ' ' VAL . 84.9 m-85 -81.46 149.8 28.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -125.42 135.54 52.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.885 ' OH ' HG23 ' A' ' 101' ' ' VAL . 97.2 m-85 -122.93 85.02 2.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.803 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -53.8 156.87 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.517 HD13 ' C ' ' A' ' 52' ' ' LEU . 3.1 mp -96.86 133.31 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -105.52 136.79 44.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.8 m -114.6 142.75 46.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 p -100.11 171.86 7.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -38.68 -62.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.71 -61.29 2.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 142.8 65.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -122.0 130.26 53.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.4 m -92.97 140.63 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.524 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 3.3 p90 -173.29 123.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.803 HG12 ' O ' ' A' ' 66' ' ' ARG . 27.6 m -100.13 75.93 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -175.46 174.25 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -126.31 -2.39 6.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -91.76 -44.56 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -135.57 -175.02 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.524 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 69.2 mtm-85 -136.01 171.49 14.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -137.68 171.63 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -100.76 -48.01 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.4 p -129.51 164.58 23.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.65 -52.13 64.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.96 -46.71 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -68.76 -34.52 75.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.82 HD23 ' C ' ' A' ' 89' ' ' LEU . 2.4 tt -61.96 -47.3 85.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.811 HG13 HD13 ' A' ' 104' ' ' LEU . 99.3 t -79.73 -50.62 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 94' ' ' SER . 5.0 t60 -52.13 -60.49 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.821 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -43.88 -47.15 8.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -85.2 31.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 54.1 p -97.94 -14.21 20.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.406 ' O ' HG21 ' A' ' 103' ' ' THR . 53.9 m -108.07 -41.73 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.107 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.609 HG22 ' H ' ' A' ' 98' ' ' ASP . 14.3 p -118.97 145.39 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -84.21 13.18 5.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.609 ' H ' HG22 ' A' ' 96' ' ' VAL . 19.8 m-20 -55.62 82.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 131.11 -39.16 1.82 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.49 HD13 HD21 ' A' ' 104' ' ' LEU . 24.7 mt -102.17 172.23 7.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.343 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.885 HG23 ' OH ' ' A' ' 65' ' ' TYR . 55.8 t -63.55 -49.35 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.0 t -144.1 149.31 36.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.042 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.533 HG22 ' C ' ' A' ' 96' ' ' VAL . 21.9 p -52.82 125.82 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.811 HD13 HG13 ' A' ' 90' ' ' VAL . 25.2 mt -64.74 85.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.492 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 1.7 p-80 -88.94 -54.4 4.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.798 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.676 ' HD2' HD11 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -119.37 99.25 50.3 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.636 0.732 . . . . 0.0 110.908 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 53.4 Cg_endo -69.8 -172.27 0.56 Allowed 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.709 2.273 . . . . 0.0 112.337 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.558 ' CB ' ' CD2' ' A' ' 20' ' ' HIS . . . -53.66 141.38 45.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.475 ' HG3' HD21 ' A' ' 35' ' ' LEU . 53.3 Cg_endo -69.82 141.19 44.36 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.293 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.07 168.35 10.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.6 t -129.97 138.18 50.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -145.0 140.39 28.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -100.73 -48.98 4.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.5 p -80.9 79.61 7.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.23 -79.25 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 91.11 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.387 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.1 t -95.31 152.01 18.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 t -149.71 157.99 43.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.567 -0.213 . . . . 0.0 112.567 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -163.44 138.91 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -158.53 157.86 32.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.78 119.67 0.51 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p -172.77 156.57 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.396 . . . . 0.0 110.907 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -154.81 117.24 4.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.56 107.95 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.9 p -139.84 135.12 16.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.53 0.681 . . . . 0.0 111.159 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 11' ' ' ASN . 53.3 Cg_endo -69.83 -168.26 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 10' ' ' VAL . 10.0 p 30.64 38.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' PRO . 43.1 p-10 -95.64 162.79 13.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.432 ' C ' HD23 ' A' ' 13' ' ' LEU . 3.5 m -153.48 108.51 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.432 HD23 ' C ' ' A' ' 12' ' ' SER . 0.2 OUTLIER -152.32 105.09 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' LYS . 11.0 mp0 49.82 40.93 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' GLU . 32.6 mmtt -35.34 -48.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 18.5 m-70 -69.23 125.77 27.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.766 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 m -55.84 -48.15 75.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 2.7 p-90 -63.5 -43.93 95.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CB ' ' HB2' ' A' ' 16' ' ' HIS . 32.4 t80 -61.32 118.5 6.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -105.96 -58.84 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.56 -116.81 3.69 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 91.2 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.638 2.225 . . . . 0.0 112.35 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.6 t -123.24 120.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.9 t -65.97 144.96 56.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 -44.51 -45.61 9.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -66.43 -55.07 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.56 -42.09 55.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.13 -54.48 30.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.752 ' HG2' HG21 ' A' ' 62' ' ' VAL . 68.1 mt-10 -70.13 -53.02 19.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -48.52 -59.1 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.948 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tt -43.6 -49.16 7.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.417 HD22 ' H ' ' A' ' 57' ' ' ARG . 38.1 mt -53.95 -45.95 71.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 t -41.17 -55.85 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -54.67 -47.39 73.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.573 HD11 ' CD ' ' A' ' 109' ' ' PRO . 12.9 mt -63.78 156.4 27.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.8 pt -51.56 168.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -80.46 44.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.3 51.43 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.8 m -129.41 149.77 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.935 0.398 . . . . 0.0 110.813 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CG ' HD22 ' A' ' 104' ' ' LEU . 2.7 p90 -122.49 155.6 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 108' ' ' ALA . 1.3 pp -144.8 152.74 40.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.6 t -115.87 113.68 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.54 ' O ' HD23 ' A' ' 52' ' ' LEU . 27.8 ptt85 -112.42 172.72 6.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -122.0 158.83 28.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -86.81 132.32 33.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.801 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' SER . 9.9 tm-20 -73.17 -58.65 3.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' GLU . 26.6 t -36.49 -62.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 t -126.52 135.21 26.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.651 0.739 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 172.98 11.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.632 2.221 . . . . 0.0 112.312 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.24 -43.92 2.57 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.74 122.46 15.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 43' ' ' ARG . 15.7 mt -122.03 170.4 9.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.445 ' HA ' HD12 ' A' ' 67' ' ' ILE . 49.0 m -160.33 141.61 12.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.1 mt -100.42 99.54 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.5 m -96.97 105.28 17.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.047 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -119.8 134.56 55.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.417 ' H ' HD22 ' A' ' 32' ' ' LEU . 5.8 tpp180 -93.03 129.93 38.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 5.8 t80 -152.43 117.41 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.412 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 9.1 tt0 68.63 41.09 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.59 36.2 92.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -144.2 141.39 29.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.752 HG21 ' HG2' ' A' ' 29' ' ' GLU . 54.4 t -104.44 111.31 33.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.547 ' CE2' HG21 ' A' ' 101' ' ' VAL . 46.4 m-85 -98.01 127.53 44.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -106.54 127.72 53.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -115.86 87.17 2.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -60.7 103.03 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.586 ' HA ' HG12 ' A' ' 77' ' ' VAL . 4.8 mp -54.14 133.16 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -90.95 156.24 18.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.1 m -136.3 138.35 41.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.3 p -103.54 173.37 6.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.102 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -37.57 -61.09 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.47 -54.85 40.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 135.15 38.49 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -89.31 121.82 31.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.6 m -87.92 132.63 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.519 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 19.5 p90 -169.71 114.27 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.707 ' O ' HG23 ' A' ' 77' ' ' VAL . 33.5 m -94.39 75.25 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -176.79 157.1 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.56 34.49 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -130.3 -43.98 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -140.32 175.24 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.519 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 75.6 mtm-85 -132.16 168.29 18.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -127.61 161.5 28.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.9 p -85.21 -54.34 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.856 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.7 p -127.34 164.68 21.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.105 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 89' ' ' LEU . 21.5 tp -56.84 -54.2 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -37.34 -48.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -69.06 -35.38 76.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.492 HD23 ' C ' ' A' ' 89' ' ' LEU . 8.9 tt -57.64 -50.4 73.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 104' ' ' LEU . 95.0 t -77.39 -45.47 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -56.13 -55.53 31.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.792 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -51.05 -49.07 61.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.464 ' CD2' HD11 ' A' ' 100' ' ' LEU . 17.4 m-70 -59.25 -54.53 45.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.756 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 93' ' ' HIS . 25.2 p -35.21 -34.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.815 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' HIS . 41.6 m -81.27 -53.6 6.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.471 ' C ' HG22 ' A' ' 103' ' ' THR . 11.8 p -130.47 132.37 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.66 ' N ' HG22 ' A' ' 103' ' ' THR . . . -44.48 -47.76 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.8 t70 52.78 39.12 28.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.65 40.09 4.8 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.398 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 93' ' ' HIS . 37.9 mt -134.26 153.13 52.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.365 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 1.047 ' CG1' HD21 ' A' ' 56' ' ' LEU . 8.6 p -40.74 -41.93 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.575 HG22 HG13 ' A' ' 101' ' ' VAL . 7.4 t -173.59 148.69 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.231 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.66 HG22 ' N ' ' A' ' 97' ' ' ALA . 36.4 p -55.0 125.95 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.596 HD22 ' CG ' ' A' ' 40' ' ' PHE . 29.5 mt -62.12 98.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -98.48 -51.42 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -111.18 98.99 41.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.539 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 53.3 Cg_endo -69.78 -170.74 0.41 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.713 2.275 . . . . 0.0 112.272 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . . . -75.89 141.19 71.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 111.024 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.573 ' CD ' HD11 ' A' ' 35' ' ' LEU . 52.8 Cg_endo -69.91 -173.34 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.614 2.209 . . . . 0.0 112.327 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.1 mmtt -94.72 162.01 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 35.3 t -68.36 -47.54 67.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 113' ' ' LYS . 49.1 t30 -164.36 155.26 15.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 112' ' ' ASN . 0.0 OUTLIER -34.28 134.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 t -164.71 157.12 16.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.841 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -150.53 75.36 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.468 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 117' ' ' SER . 53.9 Cg_endo -69.77 -50.64 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 116' ' ' PRO . 53.8 p 34.31 42.27 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 72.7 m -156.34 155.55 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 179.928 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -82.66 122.74 28.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -56.85 169.96 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.817 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.36 -92.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.549 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.1 p -123.41 39.5 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.402 . . . . 0.0 110.891 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 p -121.55 108.85 14.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.91 -64.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -142.65 138.13 15.91 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.654 0.74 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.48 ' O ' ' C ' ' A' ' 10' ' ' VAL . 54.0 Cg_endo -69.69 -38.17 8.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.637 2.225 . . . . 0.0 112.457 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 11' ' ' ASN . 19.9 m -31.02 -43.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.491 ' N ' HG23 ' A' ' 10' ' ' VAL . 37.7 p-10 -107.33 87.88 2.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.3 p -76.29 153.58 35.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 mt -122.17 -61.13 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 19' ' ' TYR . 15.3 mp0 -102.53 85.64 2.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.793 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -57.12 -44.92 83.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.479 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 51.5 m-70 -87.94 151.02 23.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.9 m -69.27 -36.89 77.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.479 ' CE2' ' HB3' ' A' ' 16' ' ' HIS . 4.9 p-90 -75.49 -37.63 60.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 34.9 t80 -62.32 97.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' GLY . 4.7 m-70 -109.6 45.53 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . 36.73 -156.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 118.42 5.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.299 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.3 t -128.0 124.42 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m -51.11 138.42 20.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -47.25 -41.7 19.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.801 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -66.42 -53.28 37.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.09 -53.93 36.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.478 ' HB1' HD21 ' A' ' 41' ' ' LEU . . . -42.23 -52.31 4.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.583 ' HG2' HG21 ' A' ' 62' ' ' VAL . 8.0 mt-10 -62.94 -54.13 43.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -44.05 -48.71 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 tp -60.15 -50.06 75.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.482 ' HG ' HD23 ' A' ' 41' ' ' LEU . 90.8 mt -60.75 -29.17 69.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.5 t -80.15 -1.48 40.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.1 p -120.82 20.39 11.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.433 ' CD2' ' HG3' ' A' ' 109' ' ' PRO . 23.4 mt -132.45 -177.32 4.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 pt -51.81 172.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -93.71 34.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.77 37.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -110.21 157.45 19.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 17.8 p90 -134.87 164.76 26.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.482 HD23 ' HG ' ' A' ' 32' ' ' LEU . 1.3 pp -147.63 157.73 43.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.438 ' N ' HD12 ' A' ' 41' ' ' LEU . 63.4 t -124.91 101.93 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -91.57 179.52 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -139.21 147.88 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.9 t -90.82 149.93 21.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 47' ' ' SER . 23.3 tt0 -102.25 -29.67 11.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' GLU . 11.2 m -36.75 -57.22 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.7 m -131.93 139.19 34.31 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.579 0.705 . . . . 0.0 110.941 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 84.49 0.65 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.799 2.333 . . . . 0.0 112.315 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.63 40.71 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -132.16 144.2 50.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.613 ' C ' HD13 ' A' ' 67' ' ' ILE . 15.3 mt -141.88 164.06 31.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.8 m -158.28 137.75 11.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.82 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.771 HD11 HD21 ' A' ' 89' ' ' LEU . 27.1 mt -100.62 127.59 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -125.24 109.29 12.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.818 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -119.64 137.64 53.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.495 ' N ' HD12 ' A' ' 56' ' ' LEU . 1.9 tmm_? -83.33 139.16 33.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -150.35 123.79 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 53.9 30.91 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.441 ' CA ' ' HD3' ' A' ' 57' ' ' ARG . . . 91.7 -36.17 3.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.449 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -80.11 144.9 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.583 HG21 ' HG2' ' A' ' 29' ' ' GLU . 84.7 t -98.95 134.19 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.916 ' CG ' HG21 ' A' ' 101' ' ' VAL . 51.9 m-85 -111.32 139.25 46.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.446 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 20.4 p80 -115.68 145.32 42.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.476 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 4.3 m-85 -139.13 110.1 6.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -73.62 135.17 43.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.613 HD13 ' C ' ' A' ' 52' ' ' LEU . 2.7 mp -82.88 138.89 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -109.97 128.95 55.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.2 m -112.68 134.29 54.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.7 p -91.18 172.03 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -39.22 -68.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -52.97 -70.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.06 77.3 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -132.58 112.94 12.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.0 m -83.54 138.39 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 17.8 p90 -173.56 116.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.62 ' O ' HG23 ' A' ' 77' ' ' VAL . 27.8 m -92.93 76.47 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -175.06 173.51 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -127.41 29.92 5.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -134.71 -39.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -131.68 177.12 7.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.807 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 33.1 mtm-85 -140.56 176.73 8.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.95 156.5 45.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.1 m -72.29 -63.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.7 p -124.55 -175.64 3.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.44 ' CD2' HD13 ' A' ' 52' ' ' LEU . 12.2 tp -68.66 -48.41 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 91' ' ' HIS . . . -46.0 -44.53 15.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.006 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -71.93 -26.2 62.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.771 HD21 HD11 ' A' ' 54' ' ' ILE . 10.2 tt -68.3 -50.67 51.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.533 HG13 HD13 ' A' ' 104' ' ' LEU . 39.8 t -81.33 -31.99 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 68.1 t60 -70.73 -43.94 67.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -70.25 -53.82 15.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -50.13 -37.71 35.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.6 p -48.04 -19.96 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.574 ' O ' HG21 ' A' ' 103' ' ' THR . 89.2 m -88.33 -73.49 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.555 ' C ' HG22 ' A' ' 103' ' ' THR . 8.2 p -112.26 138.86 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.667 ' N ' HG22 ' A' ' 103' ' ' THR . . . -47.76 -54.56 11.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.8 t0 51.7 29.03 5.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 134.85 -61.75 0.63 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.566 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.476 ' HG ' ' CE2' ' A' ' 65' ' ' TYR . 7.8 mp -46.28 140.25 4.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.916 HG21 ' CG ' ' A' ' 63' ' ' TYR . 3.4 t -33.6 -39.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.4 t -169.93 145.14 2.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.667 HG22 ' N ' ' A' ' 97' ' ' ALA . 65.5 p -43.32 151.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.564 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 4.0 mt -79.67 95.45 5.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -64.02 -68.88 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -129.74 133.4 25.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.573 0.702 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.517 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.69 -169.19 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.695 2.264 . . . . 0.0 112.323 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.72 135.48 45.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.494 0.664 . . . . 0.0 111.16 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.433 ' HG3' ' CD2' ' A' ' 35' ' ' LEU . 53.8 Cg_endo -69.74 135.68 31.12 Favored 'Trans proline' 0 C--N 1.34 0.132 0 C-N-CA 122.657 2.238 . . . . 0.0 112.318 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -55.85 144.46 27.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 92.8 m -90.06 83.39 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -152.37 105.19 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -119.63 168.23 11.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 m -106.81 -45.55 4.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 70.75 -161.95 53.81 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.8 -6.99 19.94 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.729 2.286 . . . . 0.0 112.296 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.2 t -167.68 112.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.1 m -40.4 161.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.826 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -162.83 144.56 10.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.814 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -95.08 -47.99 6.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.72 145.9 6.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.441 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -121.55 136.57 54.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -161.87 138.32 8.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.84 139.2 2.59 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.556 ' OG1' HG22 ' A' ' 10' ' ' VAL . 7.5 t -132.77 140.82 38.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 111.182 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 10' ' ' VAL . 53.0 Cg_endo -69.79 -46.63 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.605 2.204 . . . . 0.0 112.336 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.556 HG22 ' OG1' ' A' ' 8' ' ' THR . 28.4 m -34.96 -38.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.402 ' N ' HG23 ' A' ' 10' ' ' VAL . 42.1 m-80 -95.72 144.84 25.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.3 p -102.48 93.7 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.801 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.9 mt -110.52 -53.01 2.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.52 45.49 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -106.11 -39.45 5.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.47 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 15.0 m80 -69.83 157.85 36.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.6 p -75.05 -43.02 55.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.484 ' CE3' HG21 ' A' ' 42' ' ' VAL . 13.5 p-90 -66.66 -25.21 66.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -77.82 98.93 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -86.93 -54.56 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.6 -116.83 5.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 90.52 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.42 143.62 40.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ARG . 39.0 m -93.98 137.77 32.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . 21.5 ttm180 -34.62 -55.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -53.37 -54.43 36.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.64 -43.43 62.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.14 -64.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.58 ' HG2' HG21 ' A' ' 62' ' ' VAL . 56.5 mt-10 -44.95 -51.66 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' LEU . 4.2 t80 -54.74 -63.65 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -36.1 -68.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.015 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.717 HD13 ' HG2' ' A' ' 57' ' ' ARG . 17.2 mt -38.9 -41.51 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.976 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 30' ' ' TYR . 4.3 t -49.21 -59.93 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.4 m -44.18 -45.82 8.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.782 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.539 HD11 ' HD2' ' A' ' 109' ' ' PRO . 10.1 mt -79.21 178.19 8.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.489 HD11 ' CD2' ' A' ' 106' ' ' TYR . 33.0 pt -73.34 166.93 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -55.85 -39.79 71.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.0 64.97 4.14 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -137.41 142.26 41.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.994 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CG ' HD22 ' A' ' 104' ' ' LEU . 28.5 p90 -128.79 167.7 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.435 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.6 pp -153.89 155.63 36.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.484 HG21 ' CE3' ' A' ' 18' ' ' TRP . 95.3 t -119.89 105.33 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 44' ' ' GLU . 46.9 ptt85 -117.62 178.09 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 5.4 tm-20 -100.97 142.5 32.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -53.38 136.2 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -75.16 -44.37 47.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.3 t -70.25 -70.53 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.807 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.6 m -75.76 119.15 75.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.87 132.1 22.45 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.05 -41.38 3.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -53.84 120.77 6.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.402 ' C ' HD13 ' A' ' 67' ' ' ILE . 73.8 mt -76.32 167.17 22.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.0 t -165.38 135.44 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.7 mt -101.15 141.22 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.3 m -139.35 119.1 13.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.813 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.722 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -131.0 148.32 52.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.717 ' HG2' HD13 ' A' ' 32' ' ' LEU . 4.0 mmt85 -88.24 127.68 35.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.595 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 14.7 t80 -132.15 119.93 21.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.989 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 63.18 25.22 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.448 ' O ' ' CD ' ' A' ' 57' ' ' ARG . . . 99.33 -44.34 1.7 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 -73.33 155.55 39.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.58 HG21 ' HG2' ' A' ' 29' ' ' GLU . 92.4 t -92.83 142.42 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 1.095 ' CD2' HG11 ' A' ' 101' ' ' VAL . 5.1 m-85 -124.67 164.48 19.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.996 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.428 ' C ' ' CG ' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -140.13 167.1 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.575 ' OH ' HG22 ' A' ' 101' ' ' VAL . 5.7 m-85 -157.45 112.4 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.943 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -74.68 133.92 42.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.424 ' CG2' HG12 ' A' ' 75' ' ' VAL . 3.6 mp -82.71 135.29 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -111.78 148.53 33.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.2 146.6 44.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -130.23 -59.28 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -151.88 150.8 30.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 47.86 38.51 9.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.4 28.58 64.92 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HB2' HG23 ' A' ' 70' ' ' THR . 45.9 mttt -67.76 121.49 16.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.424 HG12 ' CG2' ' A' ' 67' ' ' ILE . 10.8 m -107.86 140.49 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.455 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 19.9 p90 -168.25 118.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 77' ' ' VAL . 34.5 m -97.27 75.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.177 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 t -176.4 165.81 2.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.099 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -119.53 32.39 6.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -135.03 -38.63 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 p -134.15 177.39 7.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.405 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 67.7 mtt180 -140.98 177.88 7.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -146.59 176.88 9.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.3 p -94.39 -60.8 1.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.3 p -129.6 177.03 7.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' ALA . 13.4 tp -61.48 -57.23 13.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -36.25 -38.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.049 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.74 -44.18 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.667 HD23 ' C ' ' A' ' 89' ' ' LEU . 3.4 tt -50.54 -42.5 55.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.743 HG13 ' CD1' ' A' ' 104' ' ' LEU . 74.2 t -81.76 -62.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.431 ' O ' ' CB ' ' A' ' 94' ' ' SER . 3.7 t-80 -47.22 -61.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -47.61 -57.93 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.792 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 2.6 m-70 -44.11 -36.12 2.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 91' ' ' HIS . 7.8 t -37.8 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' HIS . 77.8 m -86.15 -58.65 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.105 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.578 HG22 ' H ' ' A' ' 98' ' ' ASP . 12.4 p -109.08 146.53 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -88.26 15.02 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.578 ' H ' HG22 ' A' ' 96' ' ' VAL . 15.6 t0 -47.06 88.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 124.2 -49.79 0.89 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.422 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.563 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . 7.5 mp -90.71 147.61 23.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 1.095 HG11 ' CD2' ' A' ' 63' ' ' TYR . 20.6 m -45.6 -40.18 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.511 HG22 HG23 ' A' ' 101' ' ' VAL . 13.8 t -150.51 147.99 28.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.573 HG22 ' C ' ' A' ' 96' ' ' VAL . 66.7 p -53.17 134.3 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.743 ' CD1' HG13 ' A' ' 90' ' ' VAL . 78.4 mt -52.44 114.18 1.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -80.2 -67.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.489 ' CD2' HD11 ' A' ' 36' ' ' ILE . 37.0 m-85 -138.19 135.15 18.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.663 0.744 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.499 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.82 -177.95 2.14 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.388 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -111.96 137.13 21.27 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.54 0.686 . . . . 0.0 111.063 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.539 ' HD2' HD11 ' A' ' 35' ' ' LEU . 53.7 Cg_endo -69.86 -179.34 2.89 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -74.25 151.02 39.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.7 t -154.86 172.72 17.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.998 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -153.8 171.51 18.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -127.83 128.14 44.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.4 t -112.4 -50.88 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 133.0 149.86 6.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 118' ' ' SER . 53.3 Cg_endo -69.75 2.0 3.92 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.729 2.286 . . . . 0.0 112.338 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 116' ' ' PRO . 50.5 m -34.86 95.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 116' ' ' PRO . 33.8 m -88.14 143.24 27.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -161.9 113.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.934 0.397 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -152.47 173.71 14.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.944 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.04 -41.16 0.25 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.566 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 p -41.51 160.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.825 0.345 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 p -167.91 148.87 5.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.14 -172.71 25.74 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.454 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.4 p -48.4 142.47 8.22 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 121.567 0.698 . . . . 0.0 111.142 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.474 ' O ' ' N ' ' A' ' 11' ' ' ASN . 55.0 Cg_endo -69.63 -31.64 20.68 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.742 2.294 . . . . 0.0 112.397 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 m 39.22 25.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 9' ' ' PRO . 37.6 p30 -94.47 163.32 13.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.2 m -122.09 94.45 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.804 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mt 67.95 40.06 2.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.942 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' HIS . 1.9 tt0 -53.06 -39.09 63.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 14' ' ' GLU . 37.6 mtpt -34.44 -33.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.539 ' ND1' ' CZ2' ' A' ' 18' ' ' TRP . 31.5 m170 -47.22 168.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -100.19 -11.56 20.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.813 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.539 ' CZ2' ' ND1' ' A' ' 16' ' ' HIS . 3.7 p-90 -103.84 -27.1 12.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -81.23 111.81 17.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.975 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -116.18 36.79 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 52.94 -157.12 4.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 102.79 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.637 2.225 . . . . 0.0 112.384 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.2 t -112.98 130.85 66.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.164 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ARG . 17.2 m -60.73 124.6 20.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' SER . 2.9 ptp85 -34.58 -38.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 8.7 t -69.78 -55.03 10.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.8 -47.88 64.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.56 -69.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.103 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.78 ' HG2' HG11 ' A' ' 62' ' ' VAL . 46.1 mt-10 -46.55 -21.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.3 -67.96 0.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.1 tp -46.77 -50.14 18.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.568 ' CD2' HD23 ' A' ' 41' ' ' LEU . 94.0 mt -39.84 -66.76 0.27 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' SER . 10.7 t -59.7 -57.57 12.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' SER . 24.2 p -35.74 -47.75 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.425 HD11 ' HD3' ' A' ' 109' ' ' PRO . 12.3 mt -58.72 -75.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.982 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 pt -143.55 -176.19 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.9 30.86 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.57 100.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -153.22 155.3 36.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.879 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.53 ' CE1' HD13 ' A' ' 104' ' ' LEU . 2.9 p90 -131.78 146.82 52.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 41' ' ' LEU . 2.4 pp -144.83 160.84 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.445 ' N ' HD12 ' A' ' 41' ' ' LEU . 75.8 t -115.6 106.85 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.7 ptt85 -97.67 156.28 16.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -118.1 156.04 29.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.5 m -83.27 138.51 33.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -88.47 -59.33 2.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 61.7 p -45.19 -49.28 12.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.42 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 29.0 m -126.16 102.57 27.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 48' ' ' SER . 54.2 Cg_endo -69.81 119.11 6.11 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.656 2.237 . . . . 0.0 112.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 136.78 -16.62 3.74 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -95.44 87.93 4.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.876 0.37 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.536 ' C ' HD13 ' A' ' 67' ' ' ILE . 4.2 mm? -73.31 162.77 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.3 t -154.84 138.93 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.775 HD11 HD21 ' A' ' 89' ' ' LEU . 23.5 mt -111.02 107.89 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.142 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 m -105.71 105.22 15.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.823 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -113.36 138.72 49.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.498 ' N ' HD12 ' A' ' 56' ' ' LEU . 2.4 mmm180 -81.91 132.34 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.653 ' CD2' ' CG2' ' A' ' 101' ' ' VAL . 89.0 t80 -156.27 121.59 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 61.39 42.59 11.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.15 35.95 91.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -145.82 162.55 37.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.78 HG11 ' HG2' ' A' ' 29' ' ' GLU . 71.9 t -116.39 114.8 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.856 ' CE1' HG21 ' A' ' 101' ' ' VAL . 93.4 m-85 -96.02 127.22 41.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -100.75 134.23 44.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.698 ' OH ' HG12 ' A' ' 101' ' ' VAL . 73.0 m-85 -129.95 105.47 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.33 124.76 24.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.536 HD13 ' C ' ' A' ' 52' ' ' LEU . 1.9 mp -74.59 122.08 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.229 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -86.47 174.63 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.8 m -153.9 134.77 13.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.6 p -87.62 168.37 13.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.61 -43.69 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.3 -69.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.4 66.64 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -120.17 121.19 38.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.5 m -92.76 129.74 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.509 ' HA ' HD12 ' A' ' 89' ' ' LEU . 26.6 p90 -167.27 117.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 77' ' ' VAL . 32.9 m -95.85 74.85 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 t -176.9 146.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.196 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.42 8.54 43.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.11 -47.94 5.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 t -138.17 -179.88 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 -127.13 170.02 12.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -138.41 152.58 48.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.1 p -75.44 -57.86 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.1 p -125.68 -176.3 3.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 10.2 tp -73.34 -49.41 27.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.39 -30.56 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.069 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.19 -26.34 23.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.775 HD21 HD11 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -69.93 -42.12 73.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.715 ' N ' HD23 ' A' ' 89' ' ' LEU . 75.6 t -83.18 -37.55 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -69.27 -51.83 33.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -60.83 -41.47 95.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 4.7 m-70 -63.81 -39.87 95.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.3 p -46.71 -29.76 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.2 m -87.58 -61.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.558 ' C ' HG22 ' A' ' 103' ' ' THR . 14.2 p -111.03 143.34 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.612 ' N ' HG22 ' A' ' 103' ' ' THR . . . -73.97 -44.82 53.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 t0 57.12 35.36 26.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.26 -28.68 9.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.575 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.496 HD22 ' CE2' ' A' ' 65' ' ' TYR . 18.3 mt -57.69 148.38 24.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.856 HG21 ' CE1' ' A' ' 63' ' ' TYR . 3.7 p -43.08 -40.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.052 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.496 HG22 HG13 ' A' ' 101' ' ' VAL . 10.3 t -171.49 148.05 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.612 HG22 ' N ' ' A' ' 97' ' ' ALA . 75.4 p -64.05 128.25 34.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.53 HD13 ' CE1' ' A' ' 40' ' ' PHE . 26.6 mt -48.81 138.7 10.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.979 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.492 ' CD2' ' H ' ' A' ' 106' ' ' TYR . 4.1 p-80 -118.59 -67.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.492 ' H ' ' CD2' ' A' ' 105' ' ' HIS . 0.9 OUTLIER -118.37 111.25 38.41 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.681 0.753 . . . . 0.0 110.926 -179.829 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 54.5 Cg_endo -69.82 -179.09 2.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.796 ' HB1' ' HD2' ' A' ' 109' ' ' PRO . . . -66.77 167.12 14.64 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.17 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.796 ' HD2' ' HB1' ' A' ' 108' ' ' ALA . 54.2 Cg_endo -69.72 166.36 27.81 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.781 2.321 . . . . 0.0 112.365 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -71.01 121.76 18.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 26.0 p -54.74 -39.68 68.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -113.19 159.45 19.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -127.01 -55.39 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.9 p -85.12 93.32 8.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' A' ' 116' ' ' PRO . . . -40.31 101.41 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 115' ' ' GLY . 53.6 Cg_endo -69.82 131.71 21.72 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.709 2.273 . . . . 0.0 112.36 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 76.7 p -100.3 144.88 28.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 35.6 t -170.47 126.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.808 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.493 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -73.9 142.77 45.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.937 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.9 p -88.82 134.54 33.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.3 168.17 15.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -84.79 106.62 16.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -81.34 90.73 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.71 171.93 37.95 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.423 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.5 p -67.21 122.02 81.02 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-O 121.512 0.672 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 10' ' ' VAL . 54.1 Cg_endo -69.86 -12.34 32.52 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.657 2.238 . . . . 0.0 112.4 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 10' ' ' VAL . 24.4 m 32.61 46.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.401 ' CG ' ' HG3' ' A' ' 14' ' ' GLU . 89.4 m-20 -71.94 128.21 35.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -97.87 -48.87 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mp -129.43 86.19 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' HG3' ' CG ' ' A' ' 11' ' ' ASN . 4.3 mm-40 -111.07 34.53 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -77.86 -48.57 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.504 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 12.6 m80 -57.35 159.43 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.1 m -82.06 -43.96 17.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.504 ' CZ2' ' CG ' ' A' ' 16' ' ' HIS . 1.1 p-90 -60.43 -47.61 85.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -38.74 121.37 1.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -105.48 -42.76 5.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.96 -156.66 15.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 90.98 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.298 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.9 t -117.22 151.03 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ARG . 17.3 m -100.9 145.86 28.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . 16.2 ptt180 -34.9 -42.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -72.17 -65.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.97 -37.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.63 -66.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -47.32 -41.25 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -67.82 -36.98 81.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.14 -54.79 28.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' A' ' 35' ' ' LEU . 5.8 mt -52.77 -32.39 43.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -45.99 -35.34 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.2 t -89.64 32.43 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 32' ' ' LEU . 43.0 mt -143.86 177.45 8.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.994 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 pt -82.06 159.42 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -76.37 51.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.756 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.84 -33.68 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -62.0 158.08 17.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.926 0.393 . . . . 0.0 110.883 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.55 ' CD1' HD22 ' A' ' 104' ' ' LEU . 18.8 p90 -131.65 163.34 28.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.4 pp -141.09 155.82 46.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.762 HG22 HG12 ' A' ' 54' ' ' ILE . 93.4 t -126.48 102.42 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -105.84 173.1 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 45' ' ' SER . 20.8 tt0 -124.68 112.25 16.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' GLU . 43.5 t -36.55 128.89 0.79 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.6 OUTLIER -75.31 -50.24 16.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' GLU . 58.7 m -34.66 -53.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.0 t -130.37 135.5 27.52 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 153.32 69.18 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.695 2.264 . . . . 0.0 112.387 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.56 -49.65 3.18 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -53.99 129.83 35.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 110.975 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.4 mt -118.15 166.93 11.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.413 ' HA ' HD12 ' A' ' 67' ' ' ILE . 21.6 p -158.99 131.38 6.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.932 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.762 HG12 HG22 ' A' ' 42' ' ' VAL . 20.2 mt -102.8 96.8 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.07 97.13 10.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.974 HD21 HG12 ' A' ' 101' ' ' VAL . 0.2 OUTLIER -106.55 122.15 45.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.8 108.73 20.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.603 ' CE1' ' HG2' ' A' ' 59' ' ' GLU . 8.3 t80 -114.86 155.09 27.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.603 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 2.0 pt-20 -30.76 95.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 146.72 -88.91 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.442 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -145.45 175.72 10.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.981 0.42 . . . . 0.0 110.773 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.4 t -79.1 128.24 38.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.524 ' CE2' HG21 ' A' ' 101' ' ' VAL . 16.6 m-85 -117.83 123.97 47.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -109.23 144.15 37.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.41 ' HE2' HD23 ' A' ' 56' ' ' LEU . 2.8 m-85 -127.91 95.95 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -66.15 85.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.627 ' H ' HD12 ' A' ' 67' ' ' ILE . 4.3 mp -37.44 137.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -91.02 173.06 8.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.9 m -147.51 137.47 22.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.4 p -92.57 175.47 6.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.8 -43.37 58.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -67.55 -59.76 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.96 37.92 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -90.54 177.48 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 m -137.72 134.28 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.584 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 12.6 p90 -172.14 120.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.541 HG22 HD11 ' A' ' 89' ' ' LEU . 17.7 m -101.18 76.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -175.22 170.38 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -123.39 30.8 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -131.0 -38.8 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 m -140.1 178.6 7.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.584 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 74.4 mtm-85 -135.87 177.73 7.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -143.04 158.13 43.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.9 m -80.62 -57.83 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.8 p -121.75 177.64 5.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.525 HD21 HG11 ' A' ' 42' ' ' VAL . 17.2 tp -69.53 -56.32 7.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.39 -35.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 46.9 mm-40 -74.77 -35.93 62.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.541 HD11 HG22 ' A' ' 77' ' ' VAL . 2.8 tt -65.06 -47.92 75.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.505 ' N ' HD23 ' A' ' 89' ' ' LEU . 55.4 t -71.34 -49.56 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -60.83 -48.72 80.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.469 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 65.2 t60 -55.92 -56.67 17.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -45.55 -36.33 4.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.4 p -40.4 -30.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 m -84.96 -46.82 10.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 98' ' ' ASP . 14.6 p -128.76 144.97 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.161 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -84.44 12.08 7.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.689 ' H ' HG22 ' A' ' 96' ' ' VAL . 24.3 m-20 -38.48 92.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 107.0 -45.79 1.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.503 HD23 HD21 ' A' ' 104' ' ' LEU . 7.3 mp -76.64 162.82 27.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.894 0.378 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.974 HG12 HD21 ' A' ' 56' ' ' LEU . 1.1 p -59.06 -39.84 79.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.436 ' N ' ' CG1' ' A' ' 101' ' ' VAL . 5.1 t -169.15 146.9 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.213 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.467 ' N ' ' HB2' ' A' ' 97' ' ' ALA . 22.6 p -37.86 108.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.55 HD22 ' CD1' ' A' ' 40' ' ' PHE . 78.4 mt -40.1 133.77 1.66 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -105.99 -68.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -120.15 116.49 32.5 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.752 . . . . 0.0 110.942 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.498 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.71 -42.86 3.09 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.411 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -163.83 148.76 8.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.667 0.746 . . . . 0.0 110.985 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.483 ' HG3' HD21 ' A' ' 35' ' ' LEU . 53.2 Cg_endo -69.83 171.82 13.84 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.697 2.265 . . . . 0.0 112.257 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -107.48 34.94 3.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 58.8 m -124.36 178.4 5.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -135.11 173.95 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -107.9 151.84 25.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.5 t -153.77 160.14 42.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -153.14 93.16 0.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.83 -12.99 33.87 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.643 2.229 . . . . 0.0 112.406 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 88.1 p -40.77 143.18 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.796 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.8 t -88.34 154.2 20.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.422 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 p -69.59 87.16 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m -149.8 140.68 22.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.84 -174.52 31.63 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 m -102.22 117.72 35.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 0.0 110.823 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -85.09 105.33 15.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.62 -117.71 0.86 Allowed Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.435 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.5 p -126.58 148.81 66.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.662 0.744 . . . . 0.0 111.124 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 10' ' ' VAL . 53.8 Cg_endo -69.73 -168.67 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 10' ' ' VAL . 9.8 p 29.69 43.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' PRO . 1.4 t30 -88.87 -49.55 6.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -98.51 147.17 25.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.6 mt -71.19 -73.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 49.03 40.57 17.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt -87.39 -40.74 14.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -63.11 160.43 15.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -86.49 -41.48 14.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -68.31 -34.55 76.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -66.37 101.77 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -105.5 39.52 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 37.7 -155.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 112.94 3.2 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.583 HG12 ' HB3' ' A' ' 27' ' ' ALA . 55.8 t -117.9 151.65 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' ARG . 7.4 p -80.4 144.42 32.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' SER . 1.9 mpp_? -37.52 -59.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ALA . 2.3 m -57.15 -57.74 11.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.583 ' HB3' HG12 ' A' ' 23' ' ' VAL . . . -37.29 -40.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.58 -59.86 4.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.71 ' HG2' HG21 ' A' ' 62' ' ' VAL . 18.0 mt-10 -56.94 -50.44 72.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.58 -67.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tp -46.38 -32.32 3.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 35' ' ' LEU . 20.7 mt -74.6 -40.96 61.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.7 t -47.38 -58.11 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -55.0 -51.73 65.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 32' ' ' LEU . 64.9 mt -47.86 155.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.2 pt -61.44 -178.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -86.87 48.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.88 31.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.413 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.9 m -112.66 144.62 41.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 107' ' ' PRO . 11.7 p90 -131.69 154.33 49.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.561 ' CB ' ' HB2' ' A' ' 108' ' ' ALA . 1.2 pp -146.8 152.15 38.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -114.9 126.1 72.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.6 ptt85 -128.86 -176.68 3.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -115.46 124.5 51.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.9 p -66.07 125.5 25.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -80.9 165.89 21.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.7 t 58.36 42.54 21.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -154.39 156.57 31.82 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.59 0.71 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 82.38 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.67 2.247 . . . . 0.0 112.316 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 46.21 51.15 11.9 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -96.89 156.48 16.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.759 ' CB ' HD12 ' A' ' 67' ' ' ILE . 4.8 mt -130.51 164.36 25.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.1 t -158.5 143.67 16.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.7 mt -100.06 129.81 50.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -121.14 109.7 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.814 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -118.82 146.31 44.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.601 ' N ' HD12 ' A' ' 56' ' ' LEU . 4.0 mmm180 -88.72 122.23 31.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.564 ' HB2' HD11 ' A' ' 56' ' ' LEU . 32.9 t80 -132.96 133.89 43.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.423 ' HG2' ' CD2' ' A' ' 58' ' ' TYR . 8.4 pt-20 36.38 38.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.88 49.35 29.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -146.88 156.05 42.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.8 0.334 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.71 HG21 ' HG2' ' A' ' 29' ' ' GLU . 49.5 t -107.99 92.6 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.692 ' CD2' HG11 ' A' ' 101' ' ' VAL . 76.4 m-85 -86.62 124.72 33.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.33 123.08 47.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.637 ' OH ' HG13 ' A' ' 101' ' ' VAL . 4.4 m-85 -115.48 100.07 7.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.558 ' O ' HG12 ' A' ' 77' ' ' VAL . 22.0 mtt180 -55.5 145.2 23.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.759 HD12 ' CB ' ' A' ' 52' ' ' LEU . 95.9 mt -103.48 118.63 50.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -93.11 138.29 31.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.8 m -113.51 137.83 51.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.8 p -90.57 170.15 10.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.59 -66.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.013 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -53.1 -54.78 30.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 137.84 62.32 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.431 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -116.3 132.5 56.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.2 m -100.4 140.9 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.467 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 10.5 p90 -171.2 118.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 77' ' ' VAL . 34.0 m -100.19 75.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 1.3 t -175.81 172.03 2.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -125.86 18.36 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -110.89 -31.6 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -156.3 174.43 15.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 82' ' ' ARG . 26.7 mtm105 -127.14 158.75 36.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -122.22 163.79 18.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.7 m -85.35 -56.97 3.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.7 p -123.73 176.24 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.209 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' ALA . 11.6 tp -65.6 -56.78 10.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -34.11 -53.86 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -64.04 -54.58 31.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.814 HD23 ' C ' ' A' ' 89' ' ' LEU . 2.7 tt -38.97 -52.9 1.79 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 104' ' ' LEU . 47.3 t -74.95 -55.47 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -52.02 -67.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -40.15 -56.06 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 95' ' ' THR . 3.0 m-70 -49.87 -39.53 39.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.7 m -44.15 -22.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.838 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 93' ' ' HIS . 71.4 m -88.67 -42.27 12.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.492 HG13 ' HB2' ' A' ' 98' ' ' ASP . 7.5 p -132.32 144.9 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.167 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 99' ' ' GLY . . . -80.53 12.42 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.189 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.492 ' HB2' HG13 ' A' ' 96' ' ' VAL . 36.2 m-20 -49.62 87.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 126.86 -47.23 1.03 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.552 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 65' ' ' TYR . 25.4 mt -90.47 174.25 7.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.953 0.406 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.692 HG11 ' CD2' ' A' ' 63' ' ' TYR . 3.4 m -71.45 -28.23 31.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.7 t -162.1 154.41 19.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.5 p -56.7 132.0 50.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.493 HD22 ' CG ' ' A' ' 40' ' ' PHE . 89.9 mt -55.6 109.13 0.51 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -78.25 -65.26 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -137.13 133.34 18.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.692 0.758 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.507 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.71 -176.1 1.36 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.731 2.287 . . . . 0.0 112.323 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.561 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . . . -74.21 158.32 85.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.714 0.769 . . . . 0.0 111.072 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 108' ' ' ALA . 53.1 Cg_endo -69.77 158.73 55.93 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.724 2.283 . . . . 0.0 112.363 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -46.81 164.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.97 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 29.4 p -156.6 -178.9 7.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 38.53 38.8 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.34 84.08 2.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.803 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.9 p -150.62 128.78 11.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.734 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 101.31 137.4 9.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.505 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 93.9 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.6 m -97.4 84.66 3.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.4 p 42.47 42.31 2.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.767 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.418 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -149.71 129.94 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -109.97 166.39 10.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.85 -152.69 24.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -139.28 178.44 7.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 m -92.59 177.29 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.99 137.47 3.71 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.416 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.565 ' OG1' HG22 ' A' ' 10' ' ' VAL . 76.9 p -139.81 142.5 31.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.53 0.681 . . . . 0.0 111.122 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -17.81 37.16 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.718 2.278 . . . . 0.0 112.308 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.565 HG22 ' OG1' ' A' ' 8' ' ' THR . 30.6 m -41.33 163.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -35.79 152.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.8 m -124.14 114.56 19.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -117.76 22.17 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -91.42 48.17 1.45 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -47.32 -67.31 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -46.13 149.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.792 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 m -72.72 -49.47 30.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.5 p-90 -64.74 -41.88 95.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -62.52 113.81 3.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' GLY . 4.7 m-70 -123.14 42.78 3.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . 36.77 -153.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 124.57 11.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.318 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.3 t -131.78 124.21 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 m -52.57 143.28 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -45.54 -56.6 4.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.9 p -57.34 -45.72 84.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.81 -47.43 77.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' HB2' ' HD2' ' A' ' 43' ' ' ARG . . . -56.59 -59.19 5.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.944 ' HG2' HG21 ' A' ' 62' ' ' VAL . 37.3 mt-10 -56.8 -54.98 40.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -51.94 -50.39 61.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 mt -53.82 -43.6 69.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 57' ' ' ARG . 37.7 mt -67.18 -54.97 16.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' LEU . 60.0 p -34.16 -44.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -66.66 -49.24 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' LEU . 34.0 mt -71.27 157.01 38.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.986 HD12 ' N ' ' A' ' 38' ' ' GLY . 2.6 pp -59.0 154.89 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -75.68 47.46 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.808 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.986 ' N ' HD12 ' A' ' 36' ' ' ILE . . . -138.55 -18.08 0.56 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.554 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -88.61 160.69 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 110.824 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 104' ' ' LEU . 29.5 p90 -129.52 173.01 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.482 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.1 pp -154.2 150.05 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.24 102.09 12.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.452 ' HD2' ' HB2' ' A' ' 28' ' ' ALA . 4.5 ptm180 -107.58 156.91 18.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -108.16 135.46 49.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.4 t -58.67 145.12 41.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -64.53 136.88 57.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.7 m 53.41 39.29 29.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 m -131.55 85.21 53.18 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.697 0.761 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 108.48 2.1 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.665 2.243 . . . . 0.0 112.415 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.37 -53.2 0.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -58.54 149.9 24.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.365 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.55 ' HB2' HD13 ' A' ' 67' ' ' ILE . 84.0 mt -145.36 170.11 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.2 m -150.74 134.09 16.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.449 HG13 HD11 ' A' ' 67' ' ' ILE . 22.2 mt -98.9 96.21 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.1 m -91.93 86.93 6.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.061 HD21 HG12 ' A' ' 101' ' ' VAL . 0.5 OUTLIER -100.61 132.57 45.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.92 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.616 ' HB2' HD13 ' A' ' 32' ' ' LEU . 6.4 tpt180 -88.2 131.56 34.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -153.35 117.79 4.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 68.22 37.44 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.87 46.15 92.36 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.4 mtp85 -153.16 147.21 25.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.944 HG21 ' HG2' ' A' ' 29' ' ' GLU . 21.7 t -101.42 114.7 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.728 ' CE2' HG21 ' A' ' 101' ' ' VAL . 35.2 m-85 -108.43 127.84 54.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -106.94 148.18 28.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.439 ' CE2' HD23 ' A' ' 100' ' ' LEU . 91.7 m-85 -134.05 106.47 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -66.74 86.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 67' ' ' ILE . 5.3 mp -43.01 99.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -60.35 154.02 21.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.491 HG22 ' H ' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -139.62 146.47 39.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 p -103.52 114.03 27.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 51.75 25.01 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 t0 73.56 47.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.963 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.491 ' H ' HG22 ' A' ' 69' ' ' THR . . . -143.03 -99.57 0.32 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.447 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -56.72 155.12 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.729 HG22 ' HA ' ' A' ' 85' ' ' THR . 27.1 m -132.9 143.3 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.581 ' CE2' ' HG2' ' A' ' 82' ' ' ARG . 4.8 p90 -175.1 132.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.855 HG13 HD11 ' A' ' 89' ' ' LEU . 34.5 m -103.76 73.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.165 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 2.6 t -178.67 167.1 1.76 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.02 -12.33 11.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -80.29 -46.94 15.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.0 p -130.72 -173.65 3.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.581 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 46.8 mtm180 -137.99 176.35 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 82' ' ' ARG . 43.1 m-85 -148.7 141.62 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.428 ' OG ' HG23 ' A' ' 85' ' ' THR . 3.3 t -57.72 -58.48 8.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.729 ' HA ' HG22 ' A' ' 75' ' ' VAL . 21.1 p -141.57 175.06 9.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.515 ' N ' HG21 ' A' ' 75' ' ' VAL . 11.2 tp -47.0 -54.15 10.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -35.81 -51.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -72.12 -37.65 69.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.855 HD11 HG13 ' A' ' 77' ' ' VAL . 6.0 tt -57.54 -47.58 81.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.616 HG13 HD13 ' A' ' 104' ' ' LEU . 82.1 t -81.26 -36.59 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.182 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -68.18 -67.27 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -41.77 -50.49 4.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.784 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 11.2 m-70 -58.36 -44.38 88.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' HIS . 23.0 t -33.31 -37.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 93' ' ' HIS . 49.1 m -76.02 -52.4 10.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.555 HG22 ' H ' ' A' ' 98' ' ' ASP . 7.2 p -132.57 138.73 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.46 ' N ' HG22 ' A' ' 103' ' ' THR . . . -49.58 -41.85 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.555 ' H ' HG22 ' A' ' 96' ' ' VAL . 8.0 t70 51.78 39.17 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.08 38.34 4.88 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.481 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.439 HD23 ' CE2' ' A' ' 65' ' ' TYR . 27.5 mt -131.38 147.67 52.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.954 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 1.061 HG12 HD21 ' A' ' 56' ' ' LEU . 9.3 p -39.18 -34.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.495 HG22 HG13 ' A' ' 101' ' ' VAL . 6.2 t -175.49 153.86 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.462 HG22 ' C ' ' A' ' 96' ' ' VAL . 3.7 p -62.34 142.1 57.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.616 HD13 HG13 ' A' ' 90' ' ' VAL . 17.7 mt -87.23 96.69 10.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -117.96 -24.01 7.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -112.47 80.77 3.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.492 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 55.1 Cg_endo -69.69 146.53 60.91 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.409 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -38.55 134.46 0.97 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 111.104 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -168.69 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 111' ' ' CYS . 0.2 OUTLIER -74.63 123.81 25.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 110' ' ' LYS . 4.3 t -34.55 125.95 0.5 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.82 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.38 170.48 10.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -86.9 133.48 33.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.8 m -160.8 128.73 4.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.21 -169.63 9.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 160.74 48.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.293 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.9 t -163.48 122.78 2.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.8 t -102.62 175.13 5.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.98 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.5 p -156.92 129.14 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.826 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -119.06 142.43 47.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.11 -124.69 4.22 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m -81.06 118.39 22.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.873 0.368 . . . . 0.0 110.787 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 t -66.49 -56.12 12.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.47 60.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.425 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.415 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 29.7 p -123.09 97.16 43.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 111.132 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 8' ' ' THR . 52.7 Cg_endo -69.7 -14.73 36.7 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.301 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.7 p -170.4 152.67 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -50.22 150.25 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.2 m -123.15 136.45 54.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mp -133.49 92.34 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -112.46 99.55 8.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -113.93 -42.13 3.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.493 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 63.3 m-70 -77.15 145.75 37.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.814 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 m -63.99 -49.79 71.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.78 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.2 p-90 -60.36 -34.37 73.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -68.29 118.25 11.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -97.02 -48.95 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 132.3 -152.77 20.31 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.468 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 90.47 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.636 2.224 . . . . 0.0 112.404 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.9 t -122.38 135.47 62.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' SER . 24.8 t -86.63 137.14 32.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -33.36 -35.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' SER . 2.3 m -74.34 -51.34 15.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' SER . . . -60.09 -45.17 93.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.195 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 29' ' ' GLU . . . -50.0 -70.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.596 ' HG2' HG21 ' A' ' 62' ' ' VAL . 7.3 mt-10 -37.6 -47.52 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.11 -48.67 80.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.21 -45.97 91.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.596 ' HG ' HD23 ' A' ' 41' ' ' LEU . 4.2 mt -58.46 -42.91 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.3 t -43.0 -45.02 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.6 m -69.97 -48.79 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.783 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.521 HD12 HD23 ' A' ' 32' ' ' LEU . 42.1 mt -45.1 158.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.4 pt -45.5 169.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.186 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -82.21 43.73 0.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.73 66.18 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.449 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.4 p -131.71 148.6 52.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.382 . . . . 0.0 110.897 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.625 ' CG ' HD22 ' A' ' 104' ' ' LEU . 3.6 p90 -121.48 128.86 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.596 HD23 ' HG ' ' A' ' 32' ' ' LEU . 1.5 pp -126.34 156.97 39.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.721 HG22 HG12 ' A' ' 54' ' ' ILE . 80.8 t -122.04 106.12 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.4 ptt85 -94.41 179.46 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -140.44 164.7 29.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -108.25 136.29 48.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' SER . 19.5 mt-10 -82.13 -62.25 1.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' GLU . 7.2 t -34.59 -63.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.7 m -99.35 127.6 34.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.605 0.717 . . . . 0.0 110.836 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 162.43 42.11 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.48 42.62 26.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.454 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -123.14 92.48 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.533 ' CB ' HD13 ' A' ' 67' ' ' ILE . 17.7 mt -102.55 169.84 8.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.2 m -159.65 138.02 10.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.721 HG12 HG22 ' A' ' 42' ' ' VAL . 63.9 mt -101.66 86.94 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.0 m -83.81 96.71 8.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.766 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.089 HD21 ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -108.04 137.77 45.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.939 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.812 ' HD3' HG22 ' A' ' 62' ' ' VAL . 6.4 mmm180 -96.44 139.1 33.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 60' ' ' GLY . 35.9 t80 -153.49 157.66 40.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' TYR . 19.1 mt-10 -34.47 93.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' TYR . . . 146.56 -105.15 0.32 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.524 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.17 172.47 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.812 HG22 ' HD3' ' A' ' 57' ' ' ARG . 66.6 t -69.26 122.52 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.84 ' CE2' HG21 ' A' ' 101' ' ' VAL . 11.4 m-85 -109.36 144.4 37.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -130.08 165.62 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -144.23 118.96 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' NE ' ' OD1' ' A' ' 68' ' ' ASN . 3.9 tmm_? -79.1 120.08 23.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.578 ' HA ' HG12 ' A' ' 77' ' ' VAL . 5.1 mp -77.05 128.2 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.43 ' OD1' ' NE ' ' A' ' 66' ' ' ARG . 48.1 m-20 -121.75 160.69 24.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.06 177.93 4.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 71' ' ' ALA . 72.4 p -118.15 -75.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.418 ' N ' ' OG1' ' A' ' 70' ' ' THR . . . -124.65 -74.54 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.36 -60.59 2.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -176.61 34.6 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -86.81 111.17 20.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.386 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 m -77.11 146.99 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 7.9 p90 -165.74 113.94 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.723 HG13 HD11 ' A' ' 89' ' ' LEU . 34.5 m -99.55 75.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 t -176.21 169.22 2.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.84 29.29 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -133.78 -40.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.9 p -132.35 -175.7 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -142.71 163.78 31.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -136.65 159.36 42.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.823 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.2 m -72.47 -65.41 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.9 p -125.53 174.16 8.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' ALA . 12.9 tp -60.32 -54.49 45.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' LEU . . . -33.81 -48.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -74.8 -42.48 58.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.723 HD11 HG13 ' A' ' 77' ' ' VAL . 4.2 tt -51.27 -41.7 60.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.579 HG13 HD13 ' A' ' 104' ' ' LEU . 57.8 t -82.65 -53.35 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 94' ' ' SER . 63.3 t60 -58.15 -64.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.77 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 91' ' ' HIS . 4.0 t60 -36.98 -55.12 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 95' ' ' THR . 5.7 m-70 -60.6 -34.9 74.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.812 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 91' ' ' HIS . 7.6 t -36.34 -33.86 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 93' ' ' HIS . 63.6 m -80.83 -53.89 6.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.662 HG22 ' H ' ' A' ' 98' ' ' ASP . 14.4 p -122.67 144.6 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.649 ' HB2' ' N ' ' A' ' 103' ' ' THR . . . -86.7 15.46 5.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.662 ' H ' HG22 ' A' ' 96' ' ' VAL . 6.0 t0 -40.87 91.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . 96.23 29.68 8.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' ALA . 82.6 mt -146.01 174.2 11.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 1.089 ' CG1' HD21 ' A' ' 56' ' ' LEU . 7.4 p -72.39 -38.13 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.406 HG22 HG13 ' A' ' 101' ' ' VAL . 10.6 t -172.2 138.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.649 ' N ' ' HB2' ' A' ' 97' ' ' ALA . 21.6 p -42.35 126.15 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.625 HD22 ' CG ' ' A' ' 40' ' ' PHE . 71.8 mt -56.69 96.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -65.56 -71.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -125.58 132.61 24.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.5 ' HB2' ' N ' ' A' ' 18' ' ' TRP . 52.5 Cg_endo -69.8 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.655 2.236 . . . . 0.0 112.345 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -156.46 135.51 7.88 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.659 0.742 . . . . 0.0 111.137 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -173.17 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.65 2.234 . . . . 0.0 112.309 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -98.92 148.44 23.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 31.3 p -78.58 47.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -102.05 -60.38 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -74.28 -25.18 59.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.7 m -71.53 125.42 27.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 145.3 143.85 4.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.547 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 173.73 10.51 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.4 p -79.53 82.13 5.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.6 m -151.23 174.39 13.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.451 179.959 . . . . . . . . 0 0 . 1 stop_ save_