data_2mjy_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 2mjy _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 2' ' ' LYS . . . . . 0.545 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.886 0.374 . . . . 0.0 110.582 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.545 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 7.5 m -165.75 -167.07 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.207 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.537 ' O ' ' OE1' ' A' ' 35' ' ' GLN . 32.5 m-85 -92.27 91.1 7.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.08 0.467 . . . . 0.0 110.31 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -94.78 -38.66 10.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.591 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -128.69 41.06 3.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.446 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.61 -3.01 44.91 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -130.9 119.82 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 110.519 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.457 HG22 ' CZ ' ' A' ' 4' ' ' TYR . 94.9 t -43.2 95.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.199 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' LYS . 6.0 m -129.76 160.83 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.951 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 m -80.22 110.89 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.18 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -58.0 -156.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.773 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.594 ' CG ' ' H ' ' A' ' 14' ' ' ARG . 4.7 t-160 -143.51 -145.08 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.594 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 29.8 mtm-85 41.13 21.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.363 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' HIS . 15.9 t0 58.58 60.4 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.624 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -80.41 139.2 36.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.643 -179.687 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' SD ' ' A' ' 16' ' ' MET . 38.4 tttm -127.21 -3.84 6.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.183 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.518 ' N ' ' SD ' ' A' ' 16' ' ' MET . 57.4 m-85 -141.23 139.25 33.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.686 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 50' ' ' CYS . 64.4 m -104.01 138.32 40.72 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.685 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 35.0 p90 -124.71 145.08 49.88 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.465 -179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -114.14 74.76 0.89 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.26 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -69.03 122.49 18.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.694 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 24' ' ' GLY . 67.4 p -111.1 -10.63 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.428 ' HA2' HD22 ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.526 0.742 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.818 0.342 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.571 ' NE2' ' O ' ' A' ' 20' ' ' TYR . 1.8 tm0? -79.81 132.44 36.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.543 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.685 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -165.95 164.35 37.39 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.32 163.29 12.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.0 157.18 23.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.757 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t -69.02 -43.45 74.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.27 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -128.76 92.43 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.289 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 49.7 t -73.8 158.75 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 37.9 t -117.93 83.7 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.279 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.708 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 70.4 tt0 -50.23 111.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 42' ' ' SER . 0.2 OUTLIER -135.92 -167.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.47 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 45' ' ' GLU . 4.4 mm-40 -79.48 -41.12 28.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.397 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.428 HD22 ' HA2' ' A' ' 24' ' ' GLY . 3.7 t-20 -93.14 -30.33 15.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.363 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.605 ' ND2' ' O ' ' A' ' 42' ' ' SER . 2.8 t30 -117.95 98.16 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.505 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.27 176.31 9.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.592 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.708 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 61.9 m -140.22 135.2 32.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.939 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.527 ' N ' ' O ' ' A' ' 19' ' ' CYS . 1.2 m -113.55 177.72 4.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.977 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.409 ' C ' ' HG1' ' A' ' 52' ' ' THR . 31.0 t -152.33 29.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.839 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.454 HG21 ' H ' ' A' ' 53' ' ' ASP . 20.4 m -143.41 153.24 42.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.452 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.457 ' HB2' ' HZ3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -68.69 129.4 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.23 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 70.35 30.67 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.28 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.0 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.294 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.614 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.766 0.317 . . . . 0.0 110.396 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.614 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 78.8 m -157.58 -162.31 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.648 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -98.23 92.59 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.501 ' C ' ' HD1' ' A' ' 6' ' ' HIS . 31.0 tt0 -84.37 -43.48 14.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.531 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.501 ' HD1' ' C ' ' A' ' 5' ' ' GLN . 4.0 m80 -127.39 48.27 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.247 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.89 -13.4 8.88 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -118.64 161.05 20.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.683 0.278 . . . . 0.0 110.406 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.1 t -73.47 104.92 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.672 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.9 154.98 39.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.384 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -84.57 101.5 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.524 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.1 m -50.95 149.75 3.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.433 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.01 164.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -68.44 -16.98 64.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.663 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -79.35 -41.96 26.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.5 mtt -69.1 125.86 28.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.652 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 38.3 mttt -122.76 8.9 9.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.385 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 42.2 m-85 -148.77 135.16 19.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.989 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.2 m -99.0 140.95 32.38 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.687 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 19.3 p90 -126.04 148.29 49.35 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.78 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.629 ' C ' ' HD1' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -113.62 95.47 5.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.717 179.583 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.432 ' ND2' ' N ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -87.97 135.61 33.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 -179.178 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.52 -21.64 12.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.022 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.869 0.366 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -53.64 134.48 41.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.687 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -163.88 178.71 39.21 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.97 160.1 16.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 t -160.73 148.56 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.589 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.477 ' C ' ' HG ' ' A' ' 40' ' ' SER . 0.1 OUTLIER -84.22 -10.18 57.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.493 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.477 ' HG ' ' C ' ' A' ' 39' ' ' SER . 0.8 OUTLIER -143.59 56.98 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.55 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.71 117.48 13.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.454 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 43' ' ' GLU . 1.4 p -90.4 93.72 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 42' ' ' SER . 3.2 mm-40 -34.28 121.63 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.551 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.59 ' N ' ' O ' ' A' ' 47' ' ' ASN . 1.3 p -150.4 151.91 33.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.465 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.49 -33.42 54.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 4.5 t-20 -90.58 -10.56 42.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.223 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 44' ' ' THR . 11.6 t-20 -156.24 110.46 2.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.661 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -101.6 160.32 14.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.606 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.441 ' SG ' ' HG2' ' A' ' 43' ' ' GLU . 2.3 m -123.61 140.46 52.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.787 0.327 . . . . 0.0 110.71 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.2 p -141.03 154.31 45.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.562 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.21 33.54 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.377 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.567 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -110.23 22.09 15.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.558 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.666 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER 52.13 156.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.565 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.483 ' C ' ' O ' ' A' ' 53' ' ' ASP . 2.2 ttt180 34.08 25.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.666 ' N ' ' O ' ' A' ' 53' ' ' ASP . 6.2 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.549 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.678 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.678 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 77.3 m -162.34 -169.47 2.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.631 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 41.8 m-85 -89.78 89.54 7.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.167 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -96.79 -24.64 15.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.649 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.421 ' C ' ' H ' ' A' ' 8' ' ' LYS . 63.7 m-70 -138.17 42.54 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.526 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.95 -12.95 9.71 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 6' ' ' HIS . 3.3 mtmm -128.41 139.73 52.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 110.367 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.487 ' CG2' ' CZ ' ' A' ' 4' ' ' TYR . 61.5 t -56.71 100.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.23 145.15 35.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.815 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.8 m -70.67 118.94 14.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.14 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -158.67 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.749 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.68 ' CG ' ' H ' ' A' ' 14' ' ' ARG . 7.2 t-80 -134.94 -144.53 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.709 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.68 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 29.6 ttt-85 41.28 23.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.296 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.8 OUTLIER 53.97 45.4 27.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.154 -179.792 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.629 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -57.34 136.88 56.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.605 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' C ' ' CD2' ' A' ' 18' ' ' PHE . 41.1 mmtt -115.79 -3.48 12.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.478 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.615 ' N ' ' SD ' ' A' ' 16' ' ' MET . 97.7 m-85 -153.52 151.09 29.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.966 0.412 . . . . 0.0 111.072 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.458 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 96.3 m -108.3 145.66 34.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.773 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.684 ' CE2' ' O ' ' A' ' 36' ' ' GLY . 25.1 p90 -131.82 140.88 49.29 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.397 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -111.02 84.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.078 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.557 ' C ' HD21 ' A' ' 22' ' ' ASN . 0.2 OUTLIER -75.24 118.79 18.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.523 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.0 p -96.2 -20.98 18.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.351 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.499 ' N ' ' ND2' ' A' ' 22' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.896 0.379 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.631 ' NE2' ' O ' ' A' ' 4' ' ' TYR . 0.7 OUTLIER -83.74 139.76 32.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.076 -179.559 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.684 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -171.81 153.73 20.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.5 165.97 10.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.901 0.382 . . . . 0.0 111.203 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.9 t -168.14 159.93 11.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.591 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.13 -31.04 43.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.26 87.76 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.5 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 42' ' ' SER . 36.1 t -87.49 160.67 18.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.737 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.523 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 0.2 OUTLIER -116.79 92.33 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.586 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 43.7 mt-10 -51.76 106.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.479 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.59 ' HG1' ' H ' ' A' ' 47' ' ' ASN . 9.8 p -141.3 157.66 44.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.534 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -33.46 23.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.766 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.474 ' OD1' ' O ' ' A' ' 24' ' ' GLY . 2.5 t-20 -88.6 -38.71 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.669 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.59 ' H ' ' HG1' ' A' ' 44' ' ' THR . 1.1 t30 -128.09 105.73 8.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.489 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 2.0 mmmt -92.98 172.14 8.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.733 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 2.2 m -139.83 130.54 25.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.069 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -124.99 166.82 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.155 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.53 42.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.604 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.504 ' O ' ' O ' ' A' ' 53' ' ' ASP . 4.6 m -127.49 25.33 6.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.619 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 55' ' ' CYS . 4.7 m-20 54.6 154.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.417 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.531 ' C ' ' O ' ' A' ' 53' ' ' ASP . 1.4 ptt180 30.79 30.89 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.206 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.673 ' N ' ' O ' ' A' ' 53' ' ' ASP . 4.5 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.505 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.66 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.74 0.305 . . . . 0.0 110.395 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 35.2 m -165.82 178.69 6.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.499 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.499 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 54.5 m-85 -81.35 89.58 6.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.414 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.427 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 1.3 tm0? -96.45 -26.63 15.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.837 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -136.68 36.2 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.384 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.15 -6.69 82.87 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -139.54 145.92 39.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.322 . . . . 0.0 110.484 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.446 HG11 ' CZ ' ' A' ' 4' ' ' TYR . 2.3 m -57.28 92.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.514 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.5 m -117.03 142.45 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.804 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 t -62.93 112.09 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.484 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 76.4 m -61.41 -174.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.573 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 15' ' ' ASP . 3.0 m80 -65.07 133.87 52.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -41.37 -27.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.433 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -74.56 -53.63 9.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.554 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -63.14 135.33 57.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.299 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -130.83 -8.23 3.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 18.3 m-85 -119.17 140.98 49.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.3 m -99.76 139.17 35.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.59 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.615 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 26.6 p90 -124.1 145.9 48.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.463 0.649 . . . . 0.0 112.038 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -117.83 90.46 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.566 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -77.37 110.26 11.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -10.86 44.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.198 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.577 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.893 0.378 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -83.06 127.34 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 -179.829 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.615 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -158.43 -171.54 24.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.427 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -107.46 164.32 12.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.753 0.311 . . . . 0.0 110.523 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.79 130.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.743 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' ' C ' ' A' ' 40' ' ' SER . 0.8 OUTLIER -71.52 143.12 50.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.484 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 39' ' ' SER . 14.2 t 33.9 52.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.33 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 42' ' ' SER . 50.6 t -49.68 173.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.826 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.609 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 7.3 t -129.55 81.55 2.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.566 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 42' ' ' SER . 8.2 tm-20 -31.27 120.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.69 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.23 176.22 8.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.42 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.96 -24.09 60.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.573 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.577 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 4.7 t-20 -112.49 -27.49 8.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.517 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.432 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 0.7 OUTLIER -118.52 95.93 5.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.575 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -87.77 161.67 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.456 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.35 130.46 17.4 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.068 0.461 . . . . 0.0 111.333 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -110.94 -172.02 1.95 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.052 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 p -140.95 31.34 1.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.509 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.455 HG23 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -126.38 -171.55 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.459 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -96.88 151.43 19.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.593 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 53' ' ' ASP . 7.0 ptt-85 33.4 39.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' ASP . 9.4 p . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.435 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.009 0.433 . . . . 0.0 110.924 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -154.25 -160.97 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.911 179.434 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.471 ' CE1' HG21 ' A' ' 9' ' ' VAL . 38.0 m-85 -97.89 93.76 6.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.279 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -95.02 -38.8 10.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.186 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.34 43.54 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.658 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.9 -13.03 20.77 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -124.78 154.61 40.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 0.0 110.351 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.471 HG21 ' CE1' ' A' ' 4' ' ' TYR . 64.1 t -69.06 103.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.439 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 m -125.18 153.57 32.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.63 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 t -80.57 107.49 13.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.764 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 11.2 m -63.58 158.86 20.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.068 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.32 174.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.989 0.423 . . . . 0.0 111.002 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.0 ttp85 -67.67 -41.84 83.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.561 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.613 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -52.27 -53.73 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.344 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.427 ' SD ' ' HB3' ' A' ' 12' ' ' CYS . 2.3 mtt -58.2 127.18 30.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . 8.2 mttt -128.64 -1.65 5.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.632 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 71.5 m-85 -140.22 139.75 35.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.126 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 m -100.73 137.3 39.31 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.656 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 40.5 p90 -121.01 145.01 48.22 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.829 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.404 ' HD1' ' HA ' ' A' ' 21' ' ' HIS . 1.7 t60 -119.52 111.19 17.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.746 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -79.71 144.26 33.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.055 0.455 . . . . 0.0 111.336 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.3 -22.5 6.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.102 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.502 ' CA ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.526 0.742 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.024 0.44 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -104.78 134.02 48.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.661 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.656 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -171.0 177.76 43.8 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.71 163.03 12.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.802 0.334 . . . . 0.0 110.3 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.68 161.13 13.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.643 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.22 -72.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.397 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.445 ' O ' ' OG ' ' A' ' 40' ' ' SER . 11.3 p -83.77 55.91 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.329 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 18.4 t -50.47 146.18 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.801 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.63 83.04 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.459 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.562 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 16.7 tt0 -51.31 113.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.588 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 p -150.8 156.73 41.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.454 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 46' ' ' ASN . 10.8 pt-20 -49.66 -40.78 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.497 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.502 ' OD1' ' CA ' ' A' ' 24' ' ' GLY . 23.0 t30 -71.25 -44.25 65.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.157 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.441 HD22 ' HB2' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -132.56 111.41 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.287 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -81.27 175.53 10.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.923 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.562 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 80.9 m -142.46 128.52 19.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.336 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.75 169.78 12.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.426 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.22 28.81 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.481 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.78 163.15 19.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.457 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -77.21 123.12 26.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.873 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 66.61 28.45 9.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.857 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.328 -0.337 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.269 179.78 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 pttt . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.888 0.375 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.83 160.16 43.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.202 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.586 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 37.7 m-85 -68.32 86.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.166 0.508 . . . . 0.0 110.892 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.603 ' NE2' ' CE1' ' A' ' 6' ' ' HIS . 0.3 OUTLIER -80.75 -55.1 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.15 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.603 ' CE1' ' NE2' ' A' ' 5' ' ' GLN . 1.5 m-70 -114.77 50.49 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.155 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.15 8.17 58.18 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -142.1 123.74 15.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.464 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.475 HG11 ' CZ ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -50.57 93.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.6 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 8' ' ' LYS . 12.0 m -115.92 142.71 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.755 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -68.29 121.01 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.503 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.549 ' O ' ' O ' ' A' ' 13' ' ' HIS . 60.6 m -73.65 -174.73 1.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.715 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.78 ' HD1' ' H ' ' A' ' 13' ' ' HIS . 2.7 m80 -51.09 -162.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -93.68 -32.66 13.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.408 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -81.4 -49.1 11.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.727 ' SD ' ' ND1' ' A' ' 13' ' ' HIS . 9.4 mtt -49.47 104.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.536 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -115.22 4.19 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.149 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.542 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 6.7 m-85 -130.05 133.74 46.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.784 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.5 m -99.49 134.05 42.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.655 ' CE2' ' C ' ' A' ' 36' ' ' GLY . 30.8 p90 -115.75 145.83 42.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.357 0.599 . . . . 0.0 111.571 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.663 ' N ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -113.82 109.89 19.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.672 179.4 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 23' ' ' THR . 27.6 t-20 -101.2 127.65 47.67 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.178 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.581 ' O ' ' O ' ' A' ' 24' ' ' GLY . 1.2 t -140.03 15.8 2.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.368 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.581 ' O ' ' O ' ' A' ' 23' ' ' THR . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.788 0.328 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 4' ' ' TYR . 6.3 pt20 -68.66 135.21 51.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.563 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.655 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -162.7 -176.99 35.34 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.94 162.38 13.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.389 . . . . 0.0 110.748 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 t -163.97 145.29 8.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.496 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -55.52 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.651 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.532 ' O ' ' OG ' ' A' ' 40' ' ' SER . 2.7 p -107.86 58.82 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.628 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 42.6 t -56.24 122.89 12.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.647 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.582 ' O ' ' OG1' ' A' ' 44' ' ' THR . 43.8 t -97.59 82.31 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.373 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.691 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 68.0 tt0 -36.03 131.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.667 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -159.69 151.58 20.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.449 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -41.99 -40.6 2.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.635 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.509 ' C ' ' OD1' ' A' ' 46' ' ' ASN . 14.1 t-20 -79.6 -46.56 17.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.381 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.667 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -125.16 112.95 17.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.464 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -86.8 -167.93 2.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.509 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.691 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 59.1 m -153.67 126.67 8.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.792 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -118.13 168.52 10.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.101 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 p -154.82 33.76 0.4 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.568 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -132.48 24.04 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.587 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER 49.79 164.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.518 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 53' ' ' ASP . 10.8 ttt180 37.27 20.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.979 0.418 . . . . 0.0 110.29 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.673 ' N ' ' O ' ' A' ' 53' ' ' ASP . 6.4 t . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.424 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.992 0.425 . . . . 0.0 110.952 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.424 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -160.93 -178.2 6.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.038 179.668 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.463 ' CZ ' HG21 ' A' ' 9' ' ' VAL . 41.2 m-85 -100.42 95.52 6.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.096 0.474 . . . . 0.0 110.788 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -91.61 -45.36 8.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.717 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.526 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.6 t60 -124.87 51.53 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.626 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.64 -35.37 1.19 Allowed Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.526 ' H ' ' C ' ' A' ' 6' ' ' HIS . 1.1 mttm -89.71 176.6 6.79 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.463 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 17.3 t -95.98 107.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.527 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.9 m -98.12 144.91 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.555 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 11' ' ' THR . 20.3 m -99.45 67.97 1.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -45.12 124.42 4.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.199 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.773 ' CD2' ' H ' ' A' ' 14' ' ' ARG . 40.5 t60 -152.58 -159.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.796 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.773 ' H ' ' CD2' ' A' ' 13' ' ' HIS . 0.4 OUTLIER 60.84 -3.48 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.562 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.591 ' H ' ' C ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER 173.34 -51.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.361 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.4 mtt -60.27 125.08 22.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.437 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.43 -8.6 5.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.718 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -134.75 140.21 45.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.193 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 38.8 m -99.62 141.2 32.73 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 5.0 p90 -127.57 159.93 33.12 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.844 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -137.15 98.22 3.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.732 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.456 ' OD1' ' C ' ' A' ' 22' ' ' ASN . 1.2 t-20 -84.27 109.26 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 0.0 110.714 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' GLY . 14.6 p -112.36 13.57 20.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.298 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.671 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.898 0.38 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -125.33 130.09 51.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.587 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.61 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -164.8 -177.66 37.55 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.22 163.54 12.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.938 0.399 . . . . 0.0 110.787 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -164.4 140.58 6.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.623 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -39.37 80.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.486 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -125.98 82.52 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.562 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.2 t -80.99 156.81 25.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.403 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.565 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -114.14 84.11 1.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.644 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' SER . 4.9 tm-20 -38.36 128.09 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.752 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.59 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -160.76 146.02 14.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.483 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -42.21 -42.01 2.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.898 0.38 . . . . 0.0 110.18 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.671 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 2.2 t30 -81.85 -48.56 11.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.109 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -108.25 103.93 13.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.106 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -98.36 156.18 16.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.634 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m -133.57 120.82 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.022 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 19' ' ' CYS . 25.9 p -113.79 149.72 34.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.988 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.09 34.6 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.918 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -124.39 -153.45 0.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.306 179.715 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.8 m-20 -110.3 147.4 33.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.426 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' ASP . 25.7 ptt-85 37.04 30.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.576 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.4 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.636 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.878 0.37 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -153.89 179.95 8.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.422 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.723 ' HH ' ' NH1' ' A' ' 54' ' ' ARG . 38.4 m-85 -86.41 90.69 8.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.629 ' OE1' ' SG ' ' A' ' 37' ' ' CYS . 2.2 tt0 -95.98 -34.8 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.03 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.73 32.08 4.42 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.883 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.27 -7.54 81.34 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -135.02 119.92 18.51 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.85 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.404 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -40.88 91.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.11 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 8' ' ' LYS . 19.8 m -108.73 143.23 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.6 m -67.38 93.03 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.525 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 67.7 m -40.6 160.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.347 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.421 ' HB2' ' SD ' ' A' ' 16' ' ' MET . 30.1 m80 -43.14 166.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -68.62 -22.6 64.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.538 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.441 ' O ' ' OG ' ' A' ' 39' ' ' SER . 12.4 t70 -81.02 -46.5 14.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.37 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.421 ' SD ' ' HB2' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -63.65 116.22 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.353 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -118.03 6.57 12.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.773 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -137.88 132.98 33.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.712 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.7 m -103.14 148.05 26.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.683 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 36.6 p90 -142.57 150.9 40.98 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.747 -0.781 . . . . 0.0 111.713 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -115.39 104.14 11.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.873 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -75.35 137.87 41.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.836 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -131.11 5.07 4.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.34 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' THR . . . . . . . . 0 CA--C 1.523 0.559 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.965 0.412 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -76.25 140.76 41.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.674 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.683 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . 177.49 -176.49 48.07 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.629 ' SG ' ' OE1' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -106.28 167.01 10.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 0.0 110.485 179.795 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.17 128.68 0.88 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.659 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -63.79 -33.88 76.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.632 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.8 m -121.47 48.48 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.668 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 43.0 t -49.33 130.46 19.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.3 OUTLIER -90.38 90.57 8.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -47.5 119.57 2.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.5 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 42' ' ' SER . 0.2 OUTLIER -161.29 150.58 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.707 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -43.99 -37.61 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.634 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.566 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 22.8 t-20 -77.34 -37.43 52.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -128.83 108.73 10.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.317 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -98.19 133.75 42.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.534 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 m -103.0 131.78 49.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -114.98 -177.79 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.132 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 p -149.53 24.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.523 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 144.01 51.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.624 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.616 ' O ' ' CB ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -65.59 119.99 12.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.359 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.723 ' NH1' ' HH ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER 90.4 20.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.425 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.738 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.667 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.161 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.667 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 9.6 m -169.19 -173.78 1.83 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.832 0.349 . . . . 0.0 110.996 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.617 ' CZ ' ' CG2' ' A' ' 9' ' ' VAL . 45.1 m-85 -87.23 93.69 9.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.682 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -89.54 -46.41 8.69 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.727 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -122.22 51.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.468 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.5 -9.05 16.25 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -128.94 152.2 48.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.504 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.617 ' CG2' ' CZ ' ' A' ' 4' ' ' TYR . 47.3 t -71.31 104.28 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.709 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 m -130.75 144.32 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.0 m -68.09 113.19 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.577 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 m -64.61 -176.98 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.413 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.43 ' ND1' ' OD2' ' A' ' 15' ' ' ASP . 2.4 t-80 -67.26 161.2 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.54 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -61.51 -30.75 70.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.581 ' O ' ' OG ' ' A' ' 39' ' ' SER . 34.2 m-20 -62.76 -48.59 78.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -73.07 128.98 37.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.723 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 21.0 mtpt -128.11 2.97 5.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.491 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 17' ' ' LYS . 19.8 m-85 -137.52 144.54 42.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.954 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 m -99.49 134.87 41.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.49 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 28.8 p90 -118.24 147.52 43.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.337 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -121.3 85.4 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.003 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.686 ' ND2' ' H ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -83.07 127.53 33.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.526 -179.58 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.552 ' N ' HD21 ' A' ' 22' ' ' ASN . 16.9 p -118.27 -4.59 10.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.679 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.686 ' H ' ' ND2' ' A' ' 22' ' ' ASN . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.788 0.328 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -89.81 139.08 30.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.386 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.49 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -176.04 -166.41 33.36 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.74 162.91 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.014 0.435 . . . . 0.0 110.957 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 t -169.94 148.65 3.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.347 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.581 ' OG ' ' O ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -79.22 -50.72 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.768 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.43 45.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.749 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 25.8 t -46.6 118.72 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.4 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.07 90.22 4.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.624 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' C ' ' HG1' ' A' ' 44' ' ' THR . 5.0 tt0 -57.83 135.21 56.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.512 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.65 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -160.67 -162.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.569 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.31 -29.26 26.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.468 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.84 -23.2 13.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.134 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.65 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -128.49 106.77 9.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.948 179.565 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.48 ' C ' ' SG ' ' A' ' 49' ' ' CYS . 35.8 mtmt -100.92 -175.27 2.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.36 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.48 ' SG ' ' C ' ' A' ' 48' ' ' LYS . 4.2 m -151.09 126.84 10.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.712 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.86 -177.14 3.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.988 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.8 p -166.44 25.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.294 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.533 ' O ' ' O ' ' A' ' 53' ' ' ASP . 7.5 m -110.75 26.62 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.685 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.681 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.2 m-20 54.57 153.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.132 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.552 ' C ' ' O ' ' A' ' 53' ' ' ASP . 3.9 ptm180 27.71 34.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.089 0.471 . . . . 0.0 110.119 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.681 ' N ' ' O ' ' A' ' 53' ' ' ASP . 35.1 t . . . . . 0 C--N 1.332 -0.166 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.585 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.426 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 4.7 pttt . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 121.001 0.429 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -158.99 -174.21 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.953 179.113 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.446 ' CZ ' HG21 ' A' ' 9' ' ' VAL . 40.5 m-85 -100.92 94.68 6.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.009 0.433 . . . . 0.0 110.687 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -90.52 -52.71 4.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.61 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -126.84 40.49 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.05 -31.96 3.61 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -95.62 110.8 22.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.35 . . . . 0.0 110.6 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.446 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 57.9 t -38.02 94.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.459 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 8' ' ' LYS . 17.7 m -77.59 141.26 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.095 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' CYS . 4.1 t -93.42 54.17 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.771 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -40.35 128.35 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.148 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.663 ' C ' ' H ' ' A' ' 15' ' ' ASP . 1.8 t-80 -163.44 -166.45 1.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.764 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.486 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 6.5 tpm_? 62.45 -13.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.768 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.663 ' H ' ' C ' ' A' ' 13' ' ' HIS . 19.0 t70 -166.58 -54.27 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.734 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.25 126.79 29.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -127.7 -8.16 5.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.232 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -129.82 137.91 50.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.823 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.5 m -102.2 139.97 37.11 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.634 ' CE1' ' N ' ' A' ' 36' ' ' GLY . 23.3 p90 -125.31 149.2 48.29 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.793 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.93 85.53 2.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.164 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 16.5 t-20 -63.55 127.98 33.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.797 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.61 -20.25 13.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.365 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.649 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.635 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.933 0.397 . . . . 0.0 110.261 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -98.44 139.16 34.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.428 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.634 ' N ' ' CE1' ' A' ' 20' ' ' TYR . . . -165.67 -163.11 18.42 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.56 165.53 14.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.061 0.457 . . . . 0.0 110.808 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -173.24 164.62 4.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.446 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.503 ' OG ' ' OD2' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -87.67 -43.51 11.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.393 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.8 t -117.74 72.31 0.85 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.403 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 42.9 t -66.17 144.34 56.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.477 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.97 86.69 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.652 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' C ' ' OG1' ' A' ' 44' ' ' THR . 33.4 tt0 -49.77 142.24 8.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.698 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.606 ' O ' ' N ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -177.46 139.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.521 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 44' ' ' THR . 1.6 mm-40 -37.11 -23.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.742 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.649 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 58.8 t-20 -91.91 -39.14 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.507 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -130.83 117.9 20.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.562 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.51 166.74 11.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 m -137.97 124.09 20.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.03 -165.23 1.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.003 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.577 ' O ' ' OG ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -158.1 23.33 0.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.971 0.415 . . . . 0.0 110.568 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.447 ' CG2' ' H ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -129.27 -162.71 1.22 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.142 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -93.57 144.32 25.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.419 179.781 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 53' ' ' ASP . 11.7 ptt180 34.41 46.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.506 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.373 179.815 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.445 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.867 0.365 . . . . 0.0 110.814 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.445 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -154.48 -176.38 5.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.369 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.407 ' CE1' HG23 ' A' ' 9' ' ' VAL . 39.0 m-85 -101.0 95.42 6.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.002 0.43 . . . . 0.0 110.458 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.456 ' OE1' ' SG ' ' A' ' 37' ' ' CYS . 16.6 tt0 -97.96 -31.11 12.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.319 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -136.37 44.22 2.42 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.05 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.74 -38.33 2.81 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -92.28 -178.53 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.407 HG23 ' CE1' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -98.41 103.74 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.931 0.395 . . . . 0.0 110.816 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.4 m -90.3 151.32 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.275 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.18 66.17 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.749 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 m -44.32 130.34 6.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.122 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.579 ' C ' ' H ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -155.62 -155.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.967 -179.434 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.485 ' C ' ' CG ' ' A' ' 15' ' ' ASP . 18.0 ttt180 63.02 -5.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.606 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.601 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER 164.98 -42.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.517 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.3 mtt -65.61 105.72 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.554 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 53.5 mttt -116.02 12.28 15.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.701 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 17' ' ' LYS . 67.6 m-85 -147.07 139.59 24.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.5 m -100.52 142.77 31.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.637 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 5.7 p90 -128.35 146.09 50.87 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.689 -179.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.685 ' CG ' ' OE1' ' A' ' 35' ' ' GLN . 4.2 t60 -117.25 91.62 3.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.627 179.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.568 ' CG ' HD22 ' A' ' 47' ' ' ASN . 15.4 t30 -76.91 119.85 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.375 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 24' ' ' GLY . 24.7 p -99.41 -16.81 18.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.693 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.498 ' N ' ' OD1' ' A' ' 22' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.889 0.375 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.685 ' OE1' ' CG ' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -98.23 142.57 29.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.472 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.637 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -174.67 163.72 34.29 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.456 ' SG ' ' OE1' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -96.54 168.98 10.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.884 0.373 . . . . 0.0 110.739 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -168.71 160.14 10.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.495 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.5 t -96.44 -21.01 18.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' CYS . 0.9 OUTLIER -135.31 36.47 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.745 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 48' ' ' LYS . 36.8 t -36.56 129.46 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.63 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.3 p -86.95 85.86 7.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.691 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.502 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 20.4 tt0 -53.56 125.55 18.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.762 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.627 ' N ' ' O ' ' A' ' 47' ' ' ASN . 1.2 p -158.51 -176.24 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.445 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.31 -35.08 73.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 24' ' ' GLY . 3.8 t-20 -86.88 -46.19 10.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.942 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.627 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.6 m-80 -116.19 116.3 27.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.261 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.49 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 2.0 mtpm? -97.43 -177.25 3.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 8.9 m -152.7 130.81 11.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.624 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 p -142.66 153.4 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.62 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.529 ' O ' ' OG ' ' A' ' 51' ' ' SER . 4.0 t -139.78 42.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.56 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.28 24.27 12.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.581 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.56 ' O ' ' O ' ' A' ' 52' ' ' THR . 1.1 m-20 53.88 127.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 58.8 29.3 18.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.9 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.605 179.876 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.46 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.577 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -155.08 179.01 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.409 179.624 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.46 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 37.9 m-85 -82.07 89.0 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.732 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.536 ' C ' ' HD1' ' A' ' 6' ' ' HIS . 2.6 tt0 -89.35 -40.31 12.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.713 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.536 ' HD1' ' C ' ' A' ' 5' ' ' GLN . 2.2 m80 -126.13 48.33 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.65 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.32 -6.63 21.54 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.32 129.46 39.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 0.0 110.427 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.46 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -55.27 99.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.514 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.54 162.76 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 m -75.52 97.17 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.577 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 63.1 m -49.71 152.0 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.262 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.566 ' O ' ' O ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -35.71 163.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.608 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -36.83 84.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.69 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -39.38 68.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.35 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.444 ' SD ' ' HB2' ' A' ' 13' ' ' HIS . 24.1 mtt -68.3 106.86 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.394 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -120.27 14.11 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 14.3 m-85 -142.0 130.58 22.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.313 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 m -100.46 141.15 33.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.636 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.641 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 43.9 p90 -122.86 145.79 48.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.231 0.538 . . . . 0.0 111.686 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.651 ' N ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -113.81 85.6 2.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.837 179.307 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.514 ' C ' ' OD1' ' A' ' 22' ' ' ASN . 10.3 t-20 -81.36 130.76 35.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.027 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.456 ' H ' ' HG1' ' A' ' 23' ' ' THR . 0.0 OUTLIER -112.28 -19.86 12.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.209 179.685 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.937 0.398 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.57 139.41 30.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.814 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.641 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -172.46 -174.68 39.94 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -116.8 166.53 12.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.024 0.44 . . . . 0.0 110.86 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.44 166.35 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.82 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -45.95 5.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.124 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.592 ' O ' ' O ' ' A' ' 41' ' ' CYS . 0.3 OUTLIER -109.89 52.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.065 179.529 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.737 ' SG ' ' N ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -37.28 170.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.142 -179.652 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.737 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 31.6 t -143.42 58.48 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.17 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.516 ' C ' ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -28.94 145.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.763 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.645 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -167.16 -171.91 1.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.638 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.34 -32.74 37.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.433 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -97.81 -18.26 18.86 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.633 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.645 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -131.5 110.01 10.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.077 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.472 ' NZ ' ' O ' ' A' ' 45' ' ' GLU . 2.2 mptp? -95.76 171.99 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.68 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.2 m -143.97 139.42 29.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.965 0.412 . . . . 0.0 111.383 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 t -135.88 156.63 48.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.439 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.548 ' O ' ' OG ' ' A' ' 51' ' ' SER . 1.5 t -122.66 24.1 9.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.504 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.93 161.46 18.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.566 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.41 128.78 33.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.417 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 64.59 35.47 9.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.005 0.431 . . . . 0.0 110.123 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.468 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.623 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.794 0.33 . . . . 0.0 110.539 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.623 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -173.42 176.79 2.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.62 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.44 ' CE1' HG23 ' A' ' 9' ' ' VAL . 30.6 m-85 -79.08 86.6 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.056 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.563 ' OE1' ' SG ' ' A' ' 12' ' ' CYS . 1.1 tt0 -89.67 -44.25 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.067 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.62 37.73 4.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.784 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.18 -6.28 83.74 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.39 125.28 22.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.684 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.44 HG23 ' CE1' ' A' ' 4' ' ' TYR . 16.8 t -44.31 98.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.243 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.38 151.54 24.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.4 m -78.99 107.6 11.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.395 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.563 ' SG ' ' OE1' ' A' ' 5' ' ' GLN . 1.2 m -58.74 -166.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.333 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -53.04 174.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.115 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -88.48 3.42 50.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.626 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -112.1 -23.59 10.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.749 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.522 ' SD ' ' C ' ' A' ' 37' ' ' CYS . 55.3 mtt -86.42 123.82 32.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 0.0 110.814 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -117.28 -7.53 11.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.719 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -115.67 135.68 53.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.004 0.43 . . . . 0.0 110.686 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.7 m -105.63 148.91 26.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.353 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.686 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 21.9 p90 -143.11 159.92 41.38 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.607 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -125.66 87.82 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.945 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.684 HD22 ' ND2' ' A' ' 47' ' ' ASN . 1.2 m-80 -65.72 137.83 57.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.72 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 p -111.32 -21.53 11.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.54 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.494 ' C ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 121.001 0.429 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.439 ' CD ' ' O ' ' A' ' 4' ' ' TYR . 16.7 pt20 -57.87 135.51 56.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.908 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.686 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -168.42 -179.99 41.09 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.546 -1.021 . . . . 0.0 110.546 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.522 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -108.91 168.03 9.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.019 0.438 . . . . 0.0 110.891 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.407 ' HA ' ' SD ' ' A' ' 16' ' ' MET . 0.3 OUTLIER -159.02 162.38 36.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.762 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.05 -28.58 17.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.423 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.5 ' O ' ' C ' ' A' ' 41' ' ' CYS . 1.3 m -132.35 33.45 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.376 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 40' ' ' SER . 16.0 t -30.64 125.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.669 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' ' C ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -93.69 79.62 4.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.536 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.574 ' OE2' ' O ' ' A' ' 49' ' ' CYS . 10.0 mm-40 -32.44 140.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -161.35 174.23 13.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.543 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.504 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 6.8 tm-20 -74.36 -26.13 59.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.479 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.494 ' OD1' ' C ' ' A' ' 24' ' ' GLY . 0.4 OUTLIER -97.84 -12.09 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.957 179.717 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.684 ' ND2' HD22 ' A' ' 22' ' ' ASN . 9.3 t-20 -144.83 113.81 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.169 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -105.79 138.36 42.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.756 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.574 ' O ' ' OE2' ' A' ' 43' ' ' GLU . 2.5 m -113.43 127.82 56.24 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.1 t -106.68 170.81 7.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.189 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.571 ' O ' ' OG ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -128.63 22.81 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 110.586 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -123.7 -169.52 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.446 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.4 m-20 -90.7 153.58 20.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.512 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER 35.2 25.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.185 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.644 ' N ' ' O ' ' A' ' 53' ' ' ASP . 24.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.836 0.351 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -173.07 171.99 4.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.681 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -79.12 89.92 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.747 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -96.89 -27.97 14.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.492 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -138.91 44.57 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.519 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.6 2.88 70.59 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.95 126.6 16.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.556 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.5 m -51.85 95.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.377 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.6 m -112.77 153.88 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.653 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.501 ' O ' ' O ' ' A' ' 12' ' ' CYS . 6.2 m -75.67 86.29 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.962 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.501 ' O ' ' O ' ' A' ' 11' ' ' THR . 24.3 m -42.91 170.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.063 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -61.77 166.38 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.919 0.39 . . . . 0.0 111.052 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -29.13 70.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.196 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -40.45 97.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.364 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.0 mtt -74.82 113.57 12.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.817 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' C ' ' CG ' ' A' ' 18' ' ' PHE . 4.2 mttt -120.57 17.8 12.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.997 0.427 . . . . 0.0 110.011 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.403 ' CG ' ' C ' ' A' ' 17' ' ' LYS . 43.9 m-85 -152.77 134.44 14.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.268 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.1 t -99.43 152.99 19.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.66 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 38.5 p90 -141.37 145.73 35.76 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.9 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -114.49 94.03 4.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.892 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -90.09 130.99 36.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.988 0.423 . . . . 0.0 111.151 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.612 ' OG1' ' ND2' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -95.33 -31.17 13.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.283 179.65 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 CA--C 1.522 -0.106 0 CA-C-O 120.899 0.381 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.673 ' NE2' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -70.36 140.72 52.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.84 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.66 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . -172.2 176.54 45.2 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 164.5 11.88 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.705 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.471 ' HG ' ' H ' ' A' ' 40' ' ' SER . 34.5 t -167.81 141.26 3.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.687 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.94 -10.73 59.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.469 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.552 ' O ' ' OG ' ' A' ' 40' ' ' SER . 1.6 t -152.12 56.46 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 42' ' ' SER . 1.9 t -50.41 152.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.775 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.532 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -102.58 88.03 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.392 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.66 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 31.1 tt0 -59.74 121.89 12.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.685 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -151.25 -146.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.514 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -93.61 -39.81 10.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.737 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.612 ' ND2' ' OG1' ' A' ' 23' ' ' THR . 0.8 OUTLIER -92.05 -30.09 16.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.302 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 42' ' ' SER . 4.6 t30 -121.54 112.35 18.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.513 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -103.8 158.08 16.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.699 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.66 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 9.8 m -117.67 137.54 52.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.11 -173.23 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.315 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 m -156.45 26.67 0.34 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.256 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.0 m -135.9 163.53 30.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.586 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.65 135.56 40.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.33 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 66.07 34.64 6.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.475 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.337 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.938 0.399 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 t -166.63 -163.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.276 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.412 ' HB3' HE21 ' A' ' 35' ' ' GLN . 25.3 m-85 -90.66 91.77 8.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.09 0.472 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.416 ' HG3' ' SG ' ' A' ' 12' ' ' CYS . 3.8 tt0 -90.67 -41.12 11.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.795 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -132.41 43.96 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.661 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.59 1.8 72.77 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.521 ' CB ' ' HZ1' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -136.93 121.0 17.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.784 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.6 t -44.06 100.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.32 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.7 m -136.04 157.87 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.819 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.0 m -76.33 108.85 9.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.606 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.416 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 0.5 OUTLIER -58.55 -163.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.313 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.676 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.8 t-80 -132.15 -147.75 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.713 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 37.45 20.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.272 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.676 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER 55.87 59.55 3.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.304 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.702 ' SD ' ' N ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -64.57 140.6 58.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.421 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.565 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 1.9 tmtt? -120.82 -2.22 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.655 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.702 ' N ' ' SD ' ' A' ' 16' ' ' MET . 54.9 m-85 -149.75 141.05 23.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.975 0.417 . . . . 0.0 111.022 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.453 ' HB3' ' SG ' ' A' ' 50' ' ' CYS . 24.3 t -101.67 153.09 20.08 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.67 ' CE2' ' C ' ' A' ' 36' ' ' GLY . 52.5 p90 -140.6 135.52 31.85 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.936 -0.706 . . . . 0.0 111.764 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -103.11 86.42 2.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.849 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -64.94 129.55 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.0 t -138.03 5.25 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.62 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 23' ' ' THR . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.836 0.351 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 4' ' ' TYR . 5.1 pt20 -72.95 137.82 45.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.62 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.67 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -165.25 -179.45 39.11 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.39 159.91 22.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.772 0.32 . . . . 0.0 110.592 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 40' ' ' SER . 1.9 t -166.81 146.23 5.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.716 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.526 ' O ' ' OG ' ' A' ' 39' ' ' SER . 1.3 t -73.04 18.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.342 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.555 ' H ' ' C ' ' A' ' 38' ' ' SER . 0.3 OUTLIER -176.64 87.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.488 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.689 ' SG ' ' N ' ' A' ' 42' ' ' SER . 23.4 t -84.85 168.97 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.694 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.689 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 42.1 t -121.84 95.43 4.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.479 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.601 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 0.4 OUTLIER -55.97 95.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.425 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 47' ' ' ASN . 1.0 OUTLIER -147.37 141.93 26.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.709 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -42.48 -24.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.971 0.415 . . . . 0.0 110.208 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -80.63 -42.94 21.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.179 179.587 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.614 ' ND2' ' SG ' ' A' ' 41' ' ' CYS . 0.2 OUTLIER -136.51 107.86 6.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.392 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -76.79 164.17 26.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.605 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 31.4 m -130.64 135.8 48.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.892 0.377 . . . . 0.0 111.068 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.701 ' SG ' ' N ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -118.22 177.97 4.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.558 179.229 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.701 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 2.9 t -150.02 31.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.555 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 1.8 m -144.47 148.91 35.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.403 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.01 129.12 38.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.478 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 72.17 30.04 2.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.673 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.555 ' SG ' ' O ' ' A' ' 52' ' ' THR . 2.4 p . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.519 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.572 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 3.1 pttt . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.958 0.409 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.572 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -168.54 -168.32 0.89 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.087 179.716 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.444 ' CZ ' ' CG2' ' A' ' 9' ' ' VAL . 49.5 m-85 -96.88 93.43 6.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.126 0.489 . . . . 0.0 110.551 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.405 ' O ' ' CD ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -96.18 -24.82 16.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.931 -179.715 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.443 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.0 t-80 -142.09 47.79 1.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.603 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.54 -29.57 2.28 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 6' ' ' HIS . 1.5 mttt -108.78 163.93 12.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 0.0 110.614 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.444 ' CG2' ' CZ ' ' A' ' 4' ' ' TYR . 68.0 t -78.38 101.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.65 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.51 155.94 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.339 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.9 m -95.52 88.35 5.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.387 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.6 m -56.59 164.83 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.63 ' C ' ' H ' ' A' ' 15' ' ' ASP . 2.7 t-160 -174.46 -147.31 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.861 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.56 ' O ' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER 61.55 -6.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.342 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.63 ' H ' ' C ' ' A' ' 13' ' ' HIS . 1.5 m-20 156.56 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.454 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.0 mtt -59.38 113.2 2.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.647 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -119.46 -3.91 10.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.639 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -133.02 141.87 48.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 14.1 m -100.26 130.95 46.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.651 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 8.7 p90 -109.85 153.97 23.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.116 0.484 . . . . 0.0 111.321 -179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -120.51 81.66 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.933 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.588 ' ND2' HD22 ' A' ' 46' ' ' ASN . 0.2 OUTLIER -78.61 125.53 29.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.297 -179.27 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.516 ' O ' ' O ' ' A' ' 24' ' ' GLY . 2.1 p -100.03 -20.59 15.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.202 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.722 ' H ' ' ND2' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.526 0.755 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.865 0.364 . . . . 0.0 110.241 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -35.95 129.49 0.65 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.718 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.487 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -165.28 -175.12 35.62 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.19 163.07 13.1 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.822 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 t -173.77 153.25 2.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.447 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -80.74 -85.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.571 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' CYS . 2.7 m -74.41 45.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.434 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.416 ' H ' ' C ' ' A' ' 39' ' ' SER . 49.9 t -40.02 145.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.255 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.577 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.7 OUTLIER -107.37 81.31 1.51 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.811 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.753 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -46.77 115.96 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.335 179.642 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.625 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -146.73 -173.79 4.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.554 -179.834 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.26 -44.35 72.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.364 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.722 ' ND2' ' H ' ' A' ' 24' ' ' GLY . 6.8 t30 -88.39 -36.3 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.538 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.625 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.2 t-20 -119.55 101.7 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.615 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -86.25 -171.61 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.884 -179.787 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.753 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 45.1 m -154.79 126.79 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.217 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 19' ' ' CYS . 17.0 p -145.49 174.51 11.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 0.0 110.865 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.09 25.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.331 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.86 22.77 9.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.702 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER 66.26 144.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.704 179.809 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER 34.22 25.31 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.355 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.669 ' N ' ' O ' ' A' ' 53' ' ' ASP . 11.4 p . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.697 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.593 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.778 0.323 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.593 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 72.4 m -156.51 -174.1 4.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 110.805 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -79.96 91.28 5.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.253 0.549 . . . . 0.0 110.406 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -102.64 -16.06 16.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.084 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -150.62 35.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.756 0.312 . . . . 0.0 110.594 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.99 -26.22 13.83 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.19 138.43 54.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.738 0.304 . . . . 0.0 110.496 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.77 98.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.518 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.5 m -118.28 152.35 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.6 m -79.0 119.05 21.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.502 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.7 m -65.98 -149.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.608 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.672 ' CD2' ' H ' ' A' ' 14' ' ' ARG . 3.7 t60 -78.41 -175.96 4.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.672 ' H ' ' CD2' ' A' ' 13' ' ' HIS . 21.6 mtp180 -91.99 9.24 33.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.597 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -115.78 -41.16 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.614 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.8 mpt? -60.2 135.58 57.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -132.85 -3.57 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.808 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -125.98 134.5 51.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.603 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.625 ' O ' ' N ' ' A' ' 50' ' ' CYS . 78.1 m -101.66 140.21 36.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.776 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.52 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 33.6 p90 -128.6 146.76 50.76 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.224 -0.591 . . . . 0.0 111.539 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -114.47 90.15 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.805 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -83.42 125.28 31.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.401 . . . . 0.0 111.052 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.18 -17.72 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.257 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.616 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.723 0.297 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -66.29 132.57 48.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.298 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.52 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -167.27 -154.28 8.43 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.61 166.53 15.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.04 0.447 . . . . 0.0 110.951 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.758 ' HG ' ' H ' ' A' ' 39' ' ' SER . 29.8 t -158.66 170.68 21.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.459 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.758 ' H ' ' HG ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -100.19 -17.98 17.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.406 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 41' ' ' CYS . 61.2 m -145.49 44.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.43 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 48' ' ' LYS . 43.5 t -33.72 139.89 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.679 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.545 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.6 OUTLIER -107.04 76.26 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.511 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.773 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 1.4 tt0 -37.18 126.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.736 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.674 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -159.05 174.01 15.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.448 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.23 -38.21 88.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.591 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.616 ' ND2' ' N ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -89.67 -35.61 15.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.538 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.674 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.2 t30 -126.04 106.94 9.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.458 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 8.2 mtpp -87.73 -169.11 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.941 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.773 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 64.4 m -147.86 137.24 22.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.51 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.625 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -118.67 -167.58 1.4 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.524 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 52' ' ' THR . 16.7 m -131.28 32.29 4.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.523 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER 77.69 164.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.163 179.53 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.661 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER 81.33 63.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.572 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' ASP . 1.0 OUTLIER 37.23 21.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.345 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.661 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.729 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.573 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.821 0.343 . . . . 0.0 110.726 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.573 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -165.55 -172.95 2.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.575 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.473 ' CZ ' HG21 ' A' ' 9' ' ' VAL . 27.9 m-85 -90.99 94.12 9.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.022 0.439 . . . . 0.0 110.214 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -90.86 -41.2 11.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.185 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -127.91 47.46 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.991 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.04 -1.47 59.36 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -133.48 158.38 43.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.778 0.323 . . . . 0.0 110.335 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.473 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 19.3 t -74.78 103.82 2.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.373 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -111.68 146.4 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.817 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.511 ' CG2' ' O ' ' A' ' 11' ' ' THR . 10.2 t -97.35 98.62 10.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.407 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -174.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -57.83 170.2 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.696 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -21.15 63.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.605 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -75.28 -63.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.571 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.3 mtt -45.71 116.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.721 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -121.92 1.01 9.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.315 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -128.29 136.26 50.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.8 m -101.79 132.79 47.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.65 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.667 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 31.9 p90 -117.22 150.62 38.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.352 0.596 . . . . 0.0 111.826 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -125.4 106.1 9.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.793 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.563 ' OD1' ' OD1' ' A' ' 46' ' ' ASN . 0.7 OUTLIER -84.2 131.83 34.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.906 0.384 . . . . 0.0 110.739 -179.524 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p -107.73 -16.64 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.334 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.446 ' HA2' HD22 ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.526 0.738 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.81 0.338 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -100.58 135.2 42.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.493 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.667 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . -168.87 -171.64 34.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.08 159.82 15.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.877 0.37 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 t -170.83 127.42 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -73.5 160.44 31.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.33 179.624 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' SER . 43.9 t 37.98 47.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.185 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.6 t -66.83 142.99 57.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.782 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.39 87.25 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.553 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -41.5 121.63 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.625 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.641 ' HG1' ' H ' ' A' ' 47' ' ' ASN . 16.6 p -132.74 179.92 5.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.353 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.64 -36.6 65.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.527 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.564 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 19.2 t-20 -88.79 -37.34 15.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.296 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.641 ' H ' ' HG1' ' A' ' 44' ' ' THR . 0.1 OUTLIER -122.35 109.05 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.153 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -99.72 156.56 17.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 m -123.17 135.05 54.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.036 0.446 . . . . 0.0 111.138 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.11 172.06 7.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.392 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.9 p -138.0 22.52 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.67 156.8 42.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.331 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -73.84 142.05 46.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.399 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.55 40.13 29.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.528 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.819 0.343 . . . . 0.0 110.363 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -165.65 -162.24 0.56 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.402 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.489 ' CZ ' HG23 ' A' ' 9' ' ' VAL . 46.2 m-85 -92.96 94.76 9.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.142 0.496 . . . . 0.0 110.472 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.406 ' OE1' ' NE2' ' A' ' 6' ' ' HIS . 0.5 OUTLIER -105.77 -24.37 12.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.761 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.406 ' NE2' ' OE1' ' A' ' 5' ' ' GLN . 15.7 m-70 -134.0 35.65 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.462 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.28 -13.66 32.24 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 143.52 50.89 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.489 HG23 ' CZ ' ' A' ' 4' ' ' TYR . 2.2 t -56.09 101.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.512 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.6 m -131.32 157.78 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.37 106.23 10.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.371 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -159.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.846 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -43.05 154.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.699 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.2 mtt85 -82.66 41.83 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.439 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -158.47 -3.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.073 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.618 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -74.36 138.02 43.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.606 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.652 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 4.0 mtpm? -125.33 6.62 7.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.652 ' CD1' ' C ' ' A' ' 17' ' ' LYS . 71.7 m-85 -156.83 138.6 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.788 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 56.9 m -103.21 140.77 36.93 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.609 ' CD1' ' OD1' ' A' ' 47' ' ' ASN . 10.8 p90 -136.13 148.54 48.27 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.574 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.415 ' CD2' ' HB3' ' A' ' 35' ' ' GLN . 3.3 t-160 -111.37 99.22 8.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.16 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.733 ' ND2' ' H ' ' A' ' 24' ' ' GLY . 1.7 t-20 -80.06 135.64 36.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.786 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.554 ' N ' ' ND2' ' A' ' 22' ' ' ASN . 23.2 p -109.32 -22.11 12.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.299 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.733 ' H ' ' ND2' ' A' ' 22' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.848 0.356 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.445 ' NE2' ' HB2' ' A' ' 4' ' ' TYR . 1.3 pt20 -73.41 126.08 29.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.524 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.482 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -157.36 167.08 33.91 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -111.25 170.97 7.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.975 0.416 . . . . 0.0 110.769 -179.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.95 171.33 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.753 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 t -84.07 -42.57 15.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.547 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.0 t -120.82 85.31 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.4 t -86.0 136.74 33.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.39 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.79 94.09 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' HG3' ' SG ' ' A' ' 49' ' ' CYS . 6.2 mp0 -43.81 138.26 2.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.533 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.629 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -168.11 145.56 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.915 0.388 . . . . 0.0 110.655 179.777 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -44.14 -20.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.585 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 32.2 t-20 -95.81 -35.98 11.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.198 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.629 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -133.37 120.64 21.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.078 179.717 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -111.23 134.94 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.636 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.45 ' SG ' ' HG3' ' A' ' 43' ' ' GLU . 1.8 m -103.42 140.91 36.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.969 0.414 . . . . 0.0 111.042 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 p -141.13 130.66 23.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.512 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.18 40.5 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.661 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.482 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.63 22.55 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.524 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.693 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER 56.2 152.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.651 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' A' ' 53' ' ' ASP . 7.1 ptp180 30.48 29.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.818 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.693 ' N ' ' O ' ' A' ' 53' ' ' ASP . 29.9 p . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.014 0.435 . . . . 0.0 110.418 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.669 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 120.756 0.312 . . . . 0.0 110.237 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.669 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 36.2 m -158.2 -161.8 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.057 0.455 . . . . 0.0 111.166 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -88.4 91.0 8.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.517 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.434 ' HG3' ' SG ' ' A' ' 37' ' ' CYS . 3.3 tt0 -91.74 -38.06 12.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.69 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -130.63 46.02 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.484 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.1 0.81 61.73 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.18 143.77 44.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.31 . . . . 0.0 110.508 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.419 HG23 ' NE ' ' A' ' 54' ' ' ARG . 51.9 t -63.54 100.16 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.649 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 m -137.87 158.07 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.2 m -73.42 126.62 30.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.553 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.7 m -73.54 -174.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.506 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.444 ' CB ' ' SD ' ' A' ' 16' ' ' MET . 0.7 OUTLIER -67.07 163.77 19.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.576 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -65.13 -31.56 72.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.01 -36.99 80.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.444 ' SD ' ' CB ' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -72.14 130.88 41.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.823 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -126.76 -8.25 6.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.649 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -129.39 137.86 51.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.7 m -98.03 148.83 23.11 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.621 ' CE2' ' C ' ' A' ' 36' ' ' GLY . 27.7 p90 -138.1 148.93 45.48 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.479 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.564 ' CE1' ' NE2' ' A' ' 35' ' ' GLN . 3.5 t-160 -126.03 120.1 29.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.463 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -108.17 128.72 54.95 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.282 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -110.12 -13.65 14.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.344 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.525 0.717 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.577 ' N ' ' OE1' ' A' ' 35' ' ' GLN . 4.5 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.865 0.364 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.577 ' OE1' ' N ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -85.14 138.07 32.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.84 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.621 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -159.74 -161.09 10.98 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.434 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -120.53 164.62 16.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.499 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.6 t -166.18 150.66 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -34.06 43.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.399 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.483 ' O ' ' OG ' ' A' ' 40' ' ' SER . 10.0 p -128.53 62.89 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 48.6 t -62.09 151.46 35.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.685 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.03 89.68 3.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.579 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -51.88 108.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.51 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 p -134.16 -171.35 2.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.507 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -80.57 -34.48 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.34 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 5.3 t30 -85.05 -41.25 15.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.133 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.542 ' C ' ' OD1' ' A' ' 47' ' ' ASN . 2.4 t30 -121.02 114.85 22.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.484 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.65 163.75 13.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.746 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 m -139.35 124.27 18.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.41 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.474 ' C ' ' HG ' ' A' ' 51' ' ' SER . 1.6 p -122.61 -170.37 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.501 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.474 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 0.5 OUTLIER -146.23 27.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.965 -179.767 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.466 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 99.3 m -128.39 161.36 29.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 110.684 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.434 ' N ' ' CG2' ' A' ' 52' ' ' THR . 3.8 t70 -60.09 136.7 58.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.641 -179.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.419 ' NE ' HG23 ' A' ' 9' ' ' VAL . 13.2 ttm180 43.81 44.51 5.72 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.343 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 52' ' ' THR . 27.1 p . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.697 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.545 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -170.91 165.15 7.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.582 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.545 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 7.5 m -165.75 -167.07 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.207 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.537 ' O ' ' OE1' ' A' ' 35' ' ' GLN . 32.5 m-85 -92.27 91.1 7.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.08 0.467 . . . . 0.0 110.31 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -94.78 -38.66 10.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.591 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -128.69 41.06 3.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.446 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.61 -3.01 44.91 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -130.9 119.82 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 110.519 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.457 HG22 ' CZ ' ' A' ' 4' ' ' TYR . 94.9 t -43.2 95.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.199 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' LYS . 6.0 m -129.76 160.83 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.951 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 m -80.22 110.89 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.18 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -58.0 -156.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.773 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.594 ' CG ' ' H ' ' A' ' 14' ' ' ARG . 4.7 t-160 -143.51 -145.08 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.594 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 29.8 mtm-85 41.13 21.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.363 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' HIS . 15.9 t0 58.58 60.4 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.624 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -80.41 139.2 36.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.643 -179.687 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' SD ' ' A' ' 16' ' ' MET . 38.4 tttm -127.21 -3.84 6.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.183 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.518 ' N ' ' SD ' ' A' ' 16' ' ' MET . 57.4 m-85 -141.23 139.25 33.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.686 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 50' ' ' CYS . 64.4 m -104.01 138.32 40.72 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.685 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 35.0 p90 -124.71 145.08 49.88 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.465 -179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -114.14 74.76 0.89 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.26 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -69.03 122.49 18.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.694 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 24' ' ' GLY . 67.4 p -111.1 -10.63 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' MET . . . -60.27 -137.19 0.01 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' GLY . 1.9 ttt 39.28 93.13 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.758 0.313 . . . . 0.0 110.561 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -80.77 84.48 1.99 Allowed 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.759 2.306 . . . . 0.0 112.178 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.477 ' CE2' ' O ' ' A' ' 28' ' ' ARG . 11.8 t80 -122.57 126.99 48.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.444 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.545 ' O ' ' CB ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -66.91 175.42 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 28' ' ' ARG . 16.9 t-20 84.75 -2.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.626 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.0 mt -153.1 163.02 40.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.737 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -88.93 45.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.679 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 mt 43.52 67.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.432 HG22 HD11 ' A' ' 33' ' ' ILE . 6.3 mm -136.37 102.77 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.506 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.408 HD13 ' SD ' ' A' ' 25' ' ' MET . 0.6 OUTLIER -115.36 67.35 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.571 ' NE2' ' O ' ' A' ' 20' ' ' TYR . 1.8 tm0? -79.81 132.44 36.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.543 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.685 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -165.95 164.35 37.39 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.32 163.29 12.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.0 157.18 23.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.757 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t -69.02 -43.45 74.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.27 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -128.76 92.43 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.289 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 49.7 t -73.8 158.75 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 37.9 t -117.93 83.7 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.279 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.708 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 70.4 tt0 -50.23 111.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 42' ' ' SER . 0.2 OUTLIER -135.92 -167.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.47 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 45' ' ' GLU . 4.4 mm-40 -79.48 -41.12 28.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.397 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.428 HD22 ' HA2' ' A' ' 24' ' ' GLY . 3.7 t-20 -93.14 -30.33 15.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.363 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.605 ' ND2' ' O ' ' A' ' 42' ' ' SER . 2.8 t30 -117.95 98.16 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.505 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.27 176.31 9.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.592 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.708 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 61.9 m -140.22 135.2 32.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.939 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.527 ' N ' ' O ' ' A' ' 19' ' ' CYS . 1.2 m -113.55 177.72 4.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.977 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.409 ' C ' ' HG1' ' A' ' 52' ' ' THR . 31.0 t -152.33 29.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.839 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.454 HG21 ' H ' ' A' ' 53' ' ' ASP . 20.4 m -143.41 153.24 42.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.452 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.457 ' HB2' ' HZ3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -68.69 129.4 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.23 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 70.35 30.67 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.28 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.0 t -76.06 -35.16 59.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.294 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.563 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -91.51 60.01 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.398 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' OXT' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.534 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.614 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -161.52 158.76 26.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.396 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.614 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 78.8 m -157.58 -162.31 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.648 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.778 ' H ' HD22 ' A' ' 56' ' ' ASN . 45.7 m-85 -98.23 92.59 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.82 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.501 ' C ' ' HD1' ' A' ' 6' ' ' HIS . 31.0 tt0 -84.37 -43.48 14.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.531 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.501 ' HD1' ' C ' ' A' ' 5' ' ' GLN . 4.0 m80 -127.39 48.27 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.247 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.89 -13.4 8.88 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -118.64 161.05 20.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.683 0.278 . . . . 0.0 110.406 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.1 t -73.47 104.92 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.672 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.9 154.98 39.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.384 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -84.57 101.5 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.524 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.1 m -50.95 149.75 3.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.433 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.01 164.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -68.44 -16.98 64.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.663 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -79.35 -41.96 26.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.5 mtt -69.1 125.86 28.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.652 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 38.3 mttt -122.76 8.9 9.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.385 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 42.2 m-85 -148.77 135.16 19.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.989 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.2 m -99.0 140.95 32.38 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.687 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 19.3 p90 -126.04 148.29 49.35 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.78 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.629 ' C ' ' HD1' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -113.62 95.47 5.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.717 179.583 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.432 ' ND2' ' N ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -87.97 135.61 33.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 -179.178 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.52 -21.64 12.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.022 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . 60.19 -160.24 22.42 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' O ' ' A' ' 26' ' ' PRO . 26.9 mtm -74.09 153.47 88.58 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.7 0.286 . . . . 0.0 110.634 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 27' ' ' PHE . 85.5 Cg_exo -39.87 168.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.853 2.369 . . . . 0.0 112.124 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.518 ' C ' ' O ' ' A' ' 26' ' ' PRO . 27.4 t80 -29.78 112.66 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.439 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -133.74 -29.58 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.731 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.44 -96.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' A' ' 32' ' ' LEU . 4.2 mt -92.13 -152.1 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.926 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -75.34 29.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.735 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' A' ' 30' ' ' LEU . 53.3 mt 42.31 72.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.4 mm -127.2 88.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.542 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.3 mt -111.44 21.74 15.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.445 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -53.64 134.48 41.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.687 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -163.88 178.71 39.21 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.97 160.1 16.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 t -160.73 148.56 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.589 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.477 ' C ' ' HG ' ' A' ' 40' ' ' SER . 0.1 OUTLIER -84.22 -10.18 57.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.493 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.477 ' HG ' ' C ' ' A' ' 39' ' ' SER . 0.8 OUTLIER -143.59 56.98 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.55 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.71 117.48 13.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.454 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 43' ' ' GLU . 1.4 p -90.4 93.72 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 42' ' ' SER . 3.2 mm-40 -34.28 121.63 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.551 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.59 ' N ' ' O ' ' A' ' 47' ' ' ASN . 1.3 p -150.4 151.91 33.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.465 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.49 -33.42 54.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 4.5 t-20 -90.58 -10.56 42.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.223 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 44' ' ' THR . 11.6 t-20 -156.24 110.46 2.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.661 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -101.6 160.32 14.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.606 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.441 ' SG ' ' HG2' ' A' ' 43' ' ' GLU . 2.3 m -123.61 140.46 52.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.787 0.327 . . . . 0.0 110.71 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.2 p -141.03 154.31 45.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.562 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.21 33.54 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.377 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.567 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -110.23 22.09 15.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.558 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.666 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER 52.13 156.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.565 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.483 ' C ' ' O ' ' A' ' 53' ' ' ASP . 2.2 ttt180 34.08 25.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.666 ' N ' ' O ' ' A' ' 53' ' ' ASP . 6.2 p -79.87 -40.81 27.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.549 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.778 HD22 ' H ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -73.77 59.33 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.68 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.9 tttt . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.51 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.46 ' N ' ' OD2' ' A' ' 53' ' ' ASP . 1.5 mt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.678 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -167.31 158.86 12.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.086 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.678 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 77.3 m -162.34 -169.47 2.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.631 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 41.8 m-85 -89.78 89.54 7.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.167 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -96.79 -24.64 15.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.649 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.421 ' C ' ' H ' ' A' ' 8' ' ' LYS . 63.7 m-70 -138.17 42.54 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.526 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.95 -12.95 9.71 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 6' ' ' HIS . 3.3 mtmm -128.41 139.73 52.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 110.367 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.487 ' CG2' ' CZ ' ' A' ' 4' ' ' TYR . 61.5 t -56.71 100.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.23 145.15 35.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.815 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.8 m -70.67 118.94 14.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.14 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -158.67 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.749 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.68 ' CG ' ' H ' ' A' ' 14' ' ' ARG . 7.2 t-80 -134.94 -144.53 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.709 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.68 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 29.6 ttt-85 41.28 23.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.296 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.8 OUTLIER 53.97 45.4 27.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.154 -179.792 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.629 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -57.34 136.88 56.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.605 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' C ' ' CD2' ' A' ' 18' ' ' PHE . 41.1 mmtt -115.79 -3.48 12.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.478 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.615 ' N ' ' SD ' ' A' ' 16' ' ' MET . 97.7 m-85 -153.52 151.09 29.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.966 0.412 . . . . 0.0 111.072 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.458 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 96.3 m -108.3 145.66 34.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.773 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.684 ' CE2' ' O ' ' A' ' 36' ' ' GLY . 25.1 p90 -131.82 140.88 49.29 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.397 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -111.02 84.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.078 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.557 ' C ' HD21 ' A' ' 22' ' ' ASN . 0.2 OUTLIER -75.24 118.79 18.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.523 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' MET . 71.0 p -96.2 -20.98 18.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.351 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 25' ' ' MET . . . 62.6 -80.41 0.03 OUTLIER Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.541 ' C ' ' O ' ' A' ' 24' ' ' GLY . 10.1 ptm 27.29 61.66 0.6 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.488 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.79 -92.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.867 2.378 . . . . 0.0 112.178 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -88.41 -6.03 57.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.773 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.75 167.59 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.578 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -56.73 -56.55 20.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.682 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tp 65.4 107.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.375 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.84 40.81 1.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.763 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mt -114.5 126.33 54.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 tt -83.75 129.72 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 mp -120.39 59.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.006 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.631 ' NE2' ' O ' ' A' ' 4' ' ' TYR . 0.7 OUTLIER -83.74 139.76 32.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.076 -179.559 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.684 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -171.81 153.73 20.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.5 165.97 10.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.901 0.382 . . . . 0.0 111.203 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.9 t -168.14 159.93 11.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.591 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.13 -31.04 43.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.26 87.76 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.5 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 42' ' ' SER . 36.1 t -87.49 160.67 18.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.737 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.523 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 0.2 OUTLIER -116.79 92.33 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.586 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 43.7 mt-10 -51.76 106.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.479 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.59 ' HG1' ' H ' ' A' ' 47' ' ' ASN . 9.8 p -141.3 157.66 44.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.534 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -33.46 23.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.766 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.474 ' OD1' ' O ' ' A' ' 24' ' ' GLY . 2.5 t-20 -88.6 -38.71 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.669 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.59 ' H ' ' HG1' ' A' ' 44' ' ' THR . 1.1 t30 -128.09 105.73 8.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.489 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 2.0 mmmt -92.98 172.14 8.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.733 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 2.2 m -139.83 130.54 25.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.069 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -124.99 166.82 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.155 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.53 42.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.604 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.504 ' O ' ' O ' ' A' ' 53' ' ' ASP . 4.6 m -127.49 25.33 6.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.619 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 55' ' ' CYS . 4.7 m-20 54.6 154.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.417 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.531 ' C ' ' O ' ' A' ' 53' ' ' ASP . 1.4 ptt180 30.79 30.89 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.206 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.673 ' N ' ' O ' ' A' ' 53' ' ' ASP . 4.5 p -69.18 -36.44 77.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.505 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.557 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -76.89 87.29 3.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.502 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.091 -0.956 . . . . 0.0 110.534 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.66 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -154.79 163.54 40.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.395 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 35.2 m -165.82 178.69 6.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.499 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.499 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 54.5 m-85 -81.35 89.58 6.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.414 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.427 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 1.3 tm0? -96.45 -26.63 15.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.837 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -136.68 36.2 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.384 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.15 -6.69 82.87 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -139.54 145.92 39.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.322 . . . . 0.0 110.484 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.446 HG11 ' CZ ' ' A' ' 4' ' ' TYR . 2.3 m -57.28 92.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.514 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.5 m -117.03 142.45 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.804 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 t -62.93 112.09 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.484 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 76.4 m -61.41 -174.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.573 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 15' ' ' ASP . 3.0 m80 -65.07 133.87 52.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -41.37 -27.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.433 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -74.56 -53.63 9.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.554 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -63.14 135.33 57.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.299 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -130.83 -8.23 3.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 18.3 m-85 -119.17 140.98 49.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.3 m -99.76 139.17 35.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.59 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.615 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 26.6 p90 -124.1 145.9 48.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.463 0.649 . . . . 0.0 112.038 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -117.83 90.46 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.566 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -77.37 110.26 11.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -10.86 44.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.198 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.577 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -74.75 123.72 7.64 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -152.8 75.93 6.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.342 . . . . 0.0 110.533 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.28 -36.54 1.79 Allowed 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.726 2.284 . . . . 0.0 112.052 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.83 39.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.312 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.11 111.07 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.761 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -161.59 78.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.286 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tp 66.54 3.42 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.283 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -108.86 77.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.591 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.58 ' O ' ' O ' ' A' ' 33' ' ' ILE . 3.8 mt -95.82 177.87 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.496 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.58 ' O ' ' O ' ' A' ' 32' ' ' LEU . 1.4 mm 27.55 99.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.641 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mt -100.19 52.99 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.247 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -83.06 127.34 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 -179.829 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.615 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -158.43 -171.54 24.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.427 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -107.46 164.32 12.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.753 0.311 . . . . 0.0 110.523 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.79 130.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.743 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' ' C ' ' A' ' 40' ' ' SER . 0.8 OUTLIER -71.52 143.12 50.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.484 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 39' ' ' SER . 14.2 t 33.9 52.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.33 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 42' ' ' SER . 50.6 t -49.68 173.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.826 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.609 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 7.3 t -129.55 81.55 2.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.566 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 42' ' ' SER . 8.2 tm-20 -31.27 120.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.69 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.23 176.22 8.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.42 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.96 -24.09 60.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.573 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.577 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 4.7 t-20 -112.49 -27.49 8.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.517 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.432 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 0.7 OUTLIER -118.52 95.93 5.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.575 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -87.77 161.67 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.456 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.35 130.46 17.4 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.068 0.461 . . . . 0.0 111.333 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -110.94 -172.02 1.95 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.052 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 p -140.95 31.34 1.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.509 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.455 HG23 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -126.38 -171.55 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.459 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -96.88 151.43 19.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.593 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 53' ' ' ASP . 7.0 ptt-85 33.4 39.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.696 ' SG ' ' ND2' ' A' ' 56' ' ' ASN . 9.4 p -79.04 -36.16 41.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.696 ' ND2' ' SG ' ' A' ' 55' ' ' CYS . 9.5 m120 -86.81 107.9 18.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.502 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.2 mttp . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.523 -179.908 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -152.59 157.0 40.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.009 0.433 . . . . 0.0 110.924 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -154.25 -160.97 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.911 179.434 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.471 ' CE1' HG21 ' A' ' 9' ' ' VAL . 38.0 m-85 -97.89 93.76 6.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.279 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -95.02 -38.8 10.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.186 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.34 43.54 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.658 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.9 -13.03 20.77 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -124.78 154.61 40.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 0.0 110.351 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.471 HG21 ' CE1' ' A' ' 4' ' ' TYR . 64.1 t -69.06 103.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.439 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 m -125.18 153.57 32.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.63 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 t -80.57 107.49 13.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.764 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 11.2 m -63.58 158.86 20.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.068 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.32 174.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.989 0.423 . . . . 0.0 111.002 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.0 ttp85 -67.67 -41.84 83.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.561 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.613 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -52.27 -53.73 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.344 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.427 ' SD ' ' HB3' ' A' ' 12' ' ' CYS . 2.3 mtt -58.2 127.18 30.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . 8.2 mttt -128.64 -1.65 5.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.632 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 71.5 m-85 -140.22 139.75 35.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.126 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 m -100.73 137.3 39.31 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.656 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 40.5 p90 -121.01 145.01 48.22 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.829 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.589 ' CD2' ' ND2' ' A' ' 56' ' ' ASN . 1.7 t60 -119.52 111.19 17.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.746 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -79.71 144.26 33.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.055 0.455 . . . . 0.0 111.336 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.3 -22.5 6.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.102 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.502 ' CA ' ' OD1' ' A' ' 46' ' ' ASN . . . 63.49 -157.42 41.11 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.4 tpt -116.44 95.78 46.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.666 0.269 . . . . 0.0 110.444 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -79.82 78.28 3.76 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.581 2.187 . . . . 0.0 112.216 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 80.7 t80 -130.23 72.15 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.45 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 2.7 ttm180 62.29 44.28 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -137.49 -164.83 1.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.563 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.52 117.26 29.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.471 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -76.16 98.23 4.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.596 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 mt -92.48 158.43 16.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.553 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.483 HD11 HG22 ' A' ' 33' ' ' ILE . 30.9 mm -108.64 123.78 64.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.966 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.69 72.43 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.336 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.429 ' NE2' ' OD1' ' A' ' 56' ' ' ASN . 2.3 pt20 -104.78 134.02 48.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.661 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.656 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -171.0 177.76 43.8 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.71 163.03 12.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.802 0.334 . . . . 0.0 110.3 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.68 161.13 13.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.643 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.22 -72.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.397 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.445 ' O ' ' OG ' ' A' ' 40' ' ' SER . 11.3 p -83.77 55.91 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.329 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 18.4 t -50.47 146.18 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.801 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.63 83.04 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.459 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.562 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 16.7 tt0 -51.31 113.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.588 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 p -150.8 156.73 41.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.454 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 46' ' ' ASN . 10.8 pt-20 -49.66 -40.78 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.497 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.502 ' OD1' ' CA ' ' A' ' 24' ' ' GLY . 23.0 t30 -71.25 -44.25 65.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.157 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.441 HD22 ' HB2' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -132.56 111.41 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.287 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -81.27 175.53 10.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.923 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.562 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 80.9 m -142.46 128.52 19.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.336 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.75 169.78 12.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.426 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.22 28.81 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.481 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.78 163.15 19.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.457 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -77.21 123.12 26.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.873 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 66.61 28.45 9.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.857 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.8 t -53.95 -61.07 2.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.269 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.589 ' ND2' ' CD2' ' A' ' 21' ' ' HIS . 1.0 OUTLIER -62.97 128.11 34.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.369 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 tttm . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.531 -179.75 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -169.73 156.14 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.83 160.16 43.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.202 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.586 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 37.7 m-85 -68.32 86.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.166 0.508 . . . . 0.0 110.892 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.603 ' NE2' ' CE1' ' A' ' 6' ' ' HIS . 0.3 OUTLIER -80.75 -55.1 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.15 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.603 ' CE1' ' NE2' ' A' ' 5' ' ' GLN . 1.5 m-70 -114.77 50.49 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.155 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.15 8.17 58.18 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -142.1 123.74 15.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.464 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.475 HG11 ' CZ ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -50.57 93.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.6 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 8' ' ' LYS . 12.0 m -115.92 142.71 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.755 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -68.29 121.01 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.503 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.549 ' O ' ' O ' ' A' ' 13' ' ' HIS . 60.6 m -73.65 -174.73 1.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.715 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.78 ' HD1' ' H ' ' A' ' 13' ' ' HIS . 2.7 m80 -51.09 -162.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -93.68 -32.66 13.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.408 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -81.4 -49.1 11.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.727 ' SD ' ' ND1' ' A' ' 13' ' ' HIS . 9.4 mtt -49.47 104.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.536 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -115.22 4.19 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.149 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.542 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 6.7 m-85 -130.05 133.74 46.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.784 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.5 m -99.49 134.05 42.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.655 ' CE2' ' C ' ' A' ' 36' ' ' GLY . 30.8 p90 -115.75 145.83 42.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.357 0.599 . . . . 0.0 111.571 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.663 ' N ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -113.82 109.89 19.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.672 179.4 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 23' ' ' THR . 27.6 t-20 -101.2 127.65 47.67 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.178 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.581 ' O ' ' O ' ' A' ' 24' ' ' GLY . 1.2 t -140.03 15.8 2.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.368 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.581 ' O ' ' O ' ' A' ' 23' ' ' THR . . . -27.49 149.94 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.27 59.01 3.72 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 110.647 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -56.91 -178.11 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.729 2.286 . . . . 0.0 111.691 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -54.98 -41.18 70.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.627 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -78.47 116.93 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -40.2 115.76 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.445 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -151.65 83.98 1.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.694 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -117.79 83.23 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.483 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 33' ' ' ILE . 51.8 mt -133.1 120.59 21.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.729 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 32' ' ' LEU . 5.0 mm -39.17 123.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.0 30.59 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.818 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 4' ' ' TYR . 6.3 pt20 -68.66 135.21 51.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.563 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.655 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -162.7 -176.99 35.34 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.94 162.38 13.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.389 . . . . 0.0 110.748 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 t -163.97 145.29 8.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.496 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -55.52 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.651 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.532 ' O ' ' OG ' ' A' ' 40' ' ' SER . 2.7 p -107.86 58.82 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.628 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 42.6 t -56.24 122.89 12.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.647 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.582 ' O ' ' OG1' ' A' ' 44' ' ' THR . 43.8 t -97.59 82.31 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.373 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.691 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 68.0 tt0 -36.03 131.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.667 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -159.69 151.58 20.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.449 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -41.99 -40.6 2.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.635 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.509 ' C ' ' OD1' ' A' ' 46' ' ' ASN . 14.1 t-20 -79.6 -46.56 17.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.381 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.667 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -125.16 112.95 17.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.464 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -86.8 -167.93 2.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.509 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.691 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 59.1 m -153.67 126.67 8.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.792 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -118.13 168.52 10.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.101 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 p -154.82 33.76 0.4 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.568 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -132.48 24.04 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.587 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER 49.79 164.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.518 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 53' ' ' ASP . 10.8 ttt180 37.27 20.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.979 0.418 . . . . 0.0 110.29 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.673 ' N ' ' O ' ' A' ' 53' ' ' ASP . 6.4 t -73.35 -53.22 11.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.716 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.653 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.0 OUTLIER -55.0 95.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.777 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 56' ' ' ASN . 9.1 ttpt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.605 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.424 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -172.92 171.18 4.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.992 0.425 . . . . 0.0 110.952 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -160.93 -178.2 6.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.038 179.668 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.463 ' CZ ' HG21 ' A' ' 9' ' ' VAL . 41.2 m-85 -100.42 95.52 6.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.096 0.474 . . . . 0.0 110.788 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -91.61 -45.36 8.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.717 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.526 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.6 t60 -124.87 51.53 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.626 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.64 -35.37 1.19 Allowed Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.526 ' H ' ' C ' ' A' ' 6' ' ' HIS . 1.1 mttm -89.71 176.6 6.79 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.463 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 17.3 t -95.98 107.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.527 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.9 m -98.12 144.91 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.555 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 11' ' ' THR . 20.3 m -99.45 67.97 1.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -45.12 124.42 4.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.199 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.773 ' CD2' ' H ' ' A' ' 14' ' ' ARG . 40.5 t60 -152.58 -159.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.796 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.773 ' H ' ' CD2' ' A' ' 13' ' ' HIS . 0.4 OUTLIER 60.84 -3.48 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.562 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.591 ' H ' ' C ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER 173.34 -51.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.361 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.4 mtt -60.27 125.08 22.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.437 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.43 -8.6 5.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.718 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -134.75 140.21 45.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.193 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 38.8 m -99.62 141.2 32.73 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 5.0 p90 -127.57 159.93 33.12 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.844 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -137.15 98.22 3.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.732 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.456 ' OD1' ' C ' ' A' ' 22' ' ' ASN . 1.2 t-20 -84.27 109.26 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 0.0 110.714 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' GLY . 14.6 p -112.36 13.57 20.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.298 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.671 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -36.4 108.21 0.06 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.55 ' C ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -25.55 92.71 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.723 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.513 ' N ' ' O ' ' A' ' 24' ' ' GLY . 51.7 Cg_exo -50.18 -168.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.607 2.205 . . . . 0.0 111.922 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.567 ' O ' ' O ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -115.06 30.62 7.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.646 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.567 ' O ' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER 48.31 111.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.602 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -167.71 -53.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.478 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.3 tp -153.27 -11.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.522 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.2 tttp 72.78 59.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.694 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 ' CD1' ' H ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -76.3 116.13 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.349 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.42 HG21 HD13 ' A' ' 33' ' ' ILE . 2.3 mm -70.51 132.72 32.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.625 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt -116.07 77.38 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.381 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.516 ' OE1' ' CB ' ' A' ' 56' ' ' ASN . 6.4 tt0 -125.33 130.09 51.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.587 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.61 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -164.8 -177.66 37.55 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.22 163.54 12.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.938 0.399 . . . . 0.0 110.787 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -164.4 140.58 6.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.623 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -39.37 80.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.486 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -125.98 82.52 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.562 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.2 t -80.99 156.81 25.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.403 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.565 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -114.14 84.11 1.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.644 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' SER . 4.9 tm-20 -38.36 128.09 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.752 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.59 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -160.76 146.02 14.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.483 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -42.21 -42.01 2.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.898 0.38 . . . . 0.0 110.18 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.671 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 2.2 t30 -81.85 -48.56 11.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.109 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -108.25 103.93 13.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.106 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -98.36 156.18 16.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.634 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m -133.57 120.82 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.022 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 19' ' ' CYS . 25.9 p -113.79 149.72 34.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.988 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.09 34.6 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.918 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -124.39 -153.45 0.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.306 179.715 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.8 m-20 -110.3 147.4 33.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.426 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' ASP . 25.7 ptt-85 37.04 30.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.576 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.4 p -86.95 -10.71 52.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.636 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.516 ' CB ' ' OE1' ' A' ' 35' ' ' GLN . 3.2 p-10 -39.35 -48.99 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.543 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.643 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 1' ' ' LEU . 8.9 mp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -156.95 160.09 38.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -153.89 179.95 8.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.422 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.723 ' HH ' ' NH1' ' A' ' 54' ' ' ARG . 38.4 m-85 -86.41 90.69 8.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.629 ' OE1' ' SG ' ' A' ' 37' ' ' CYS . 2.2 tt0 -95.98 -34.8 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.03 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.73 32.08 4.42 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.883 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.27 -7.54 81.34 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -135.02 119.92 18.51 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.85 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.404 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -40.88 91.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.11 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 8' ' ' LYS . 19.8 m -108.73 143.23 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.6 m -67.38 93.03 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.525 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 67.7 m -40.6 160.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.347 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.421 ' HB2' ' SD ' ' A' ' 16' ' ' MET . 30.1 m80 -43.14 166.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -68.62 -22.6 64.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.538 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.441 ' O ' ' OG ' ' A' ' 39' ' ' SER . 12.4 t70 -81.02 -46.5 14.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.37 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.421 ' SD ' ' HB2' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -63.65 116.22 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.353 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -118.03 6.57 12.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.773 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -137.88 132.98 33.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.712 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.7 m -103.14 148.05 26.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.683 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 36.6 p90 -142.57 150.9 40.98 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.747 -0.781 . . . . 0.0 111.713 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -115.39 104.14 11.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.873 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -75.35 137.87 41.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.836 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -131.11 5.07 4.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.34 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' THR . . . -33.49 -65.76 0.27 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.453 ' N ' ' HD3' ' A' ' 26' ' ' PRO . 0.0 OUTLIER 49.77 61.33 13.93 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 120.796 0.331 . . . . 0.0 110.905 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.453 ' HD3' ' N ' ' A' ' 25' ' ' MET . 35.2 Cg_exo -53.58 167.73 0.88 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.623 2.216 . . . . 0.0 112.134 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 29' ' ' ASN . 61.7 m-85 -66.1 -128.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.464 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -48.81 87.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.466 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 27' ' ' PHE . 9.5 m120 -151.48 -160.27 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.642 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.0 -15.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.582 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -78.79 77.77 5.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.363 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' ILE . 3.0 mt -61.51 -153.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.464 ' C ' ' O ' ' A' ' 32' ' ' LEU . 51.4 mt -33.56 140.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.843 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.38 58.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.54 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -76.25 140.76 41.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.674 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.683 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . 177.49 -176.49 48.07 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.629 ' SG ' ' OE1' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -106.28 167.01 10.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 0.0 110.485 179.795 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.17 128.68 0.88 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.659 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -63.79 -33.88 76.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.632 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.8 m -121.47 48.48 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.668 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 43.0 t -49.33 130.46 19.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.3 OUTLIER -90.38 90.57 8.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -47.5 119.57 2.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.5 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 42' ' ' SER . 0.2 OUTLIER -161.29 150.58 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.707 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -43.99 -37.61 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.634 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.566 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 22.8 t-20 -77.34 -37.43 52.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -128.83 108.73 10.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.317 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -98.19 133.75 42.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.534 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 m -103.0 131.78 49.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -114.98 -177.79 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.132 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 p -149.53 24.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.523 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 144.01 51.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.624 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.616 ' O ' ' CB ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -65.59 119.99 12.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.359 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.723 ' NH1' ' HH ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER 90.4 20.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.425 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -49.78 56.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.738 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.731 ' ND2' ' N ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -86.17 167.35 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.662 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.2 tttt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.644 -179.883 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.667 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -176.32 163.5 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.193 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.667 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 9.6 m -169.19 -173.78 1.83 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.832 0.349 . . . . 0.0 110.996 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.617 ' CZ ' ' CG2' ' A' ' 9' ' ' VAL . 45.1 m-85 -87.23 93.69 9.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.682 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -89.54 -46.41 8.69 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.727 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -122.22 51.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.468 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.5 -9.05 16.25 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -128.94 152.2 48.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.504 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.617 ' CG2' ' CZ ' ' A' ' 4' ' ' TYR . 47.3 t -71.31 104.28 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.709 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 m -130.75 144.32 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.0 m -68.09 113.19 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.577 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 m -64.61 -176.98 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.413 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.43 ' ND1' ' OD2' ' A' ' 15' ' ' ASP . 2.4 t-80 -67.26 161.2 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.54 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -61.51 -30.75 70.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.581 ' O ' ' OG ' ' A' ' 39' ' ' SER . 34.2 m-20 -62.76 -48.59 78.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -73.07 128.98 37.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.723 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 21.0 mtpt -128.11 2.97 5.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.491 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 17' ' ' LYS . 19.8 m-85 -137.52 144.54 42.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.954 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 m -99.49 134.87 41.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.49 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 28.8 p90 -118.24 147.52 43.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.337 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -121.3 85.4 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.003 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.686 ' ND2' ' H ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -83.07 127.53 33.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.526 -179.58 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.552 ' N ' HD21 ' A' ' 22' ' ' ASN . 16.9 p -118.27 -4.59 10.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.679 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.686 ' H ' ' ND2' ' A' ' 22' ' ' ASN . . . -73.52 -166.45 12.01 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.9 mtt 38.77 65.81 2.99 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.723 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' O ' ' O ' ' A' ' 27' ' ' PHE . 35.7 Cg_endo -68.59 3.52 2.19 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.736 2.291 . . . . 0.0 111.926 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.632 ' O ' ' N ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER 42.42 98.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.632 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 50.45 -79.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.576 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.632 ' N ' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.53 -169.3 3.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.632 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.456 ' CB ' ' O ' ' A' ' 29' ' ' ASN . 1.2 tp 78.6 159.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.605 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -98.27 53.78 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.426 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.86 125.83 14.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.0 tp -94.49 127.73 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.28 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.35 55.13 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.553 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.521 HE22 ' C ' ' A' ' 57' ' ' LYS . 1.3 tt0 -89.81 139.08 30.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.386 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.49 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -176.04 -166.41 33.36 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.74 162.91 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.014 0.435 . . . . 0.0 110.957 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 t -169.94 148.65 3.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.347 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.581 ' OG ' ' O ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -79.22 -50.72 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.768 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.43 45.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.749 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 25.8 t -46.6 118.72 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.4 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.07 90.22 4.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.624 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' C ' ' HG1' ' A' ' 44' ' ' THR . 5.0 tt0 -57.83 135.21 56.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.512 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.65 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -160.67 -162.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.569 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.31 -29.26 26.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.468 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.84 -23.2 13.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.134 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.65 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -128.49 106.77 9.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.948 179.565 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.48 ' C ' ' SG ' ' A' ' 49' ' ' CYS . 35.8 mtmt -100.92 -175.27 2.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.36 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.48 ' SG ' ' C ' ' A' ' 48' ' ' LYS . 4.2 m -151.09 126.84 10.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.712 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.86 -177.14 3.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.988 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.8 p -166.44 25.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.294 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.533 ' O ' ' O ' ' A' ' 53' ' ' ASP . 7.5 m -110.75 26.62 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.685 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.681 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.2 m-20 54.57 153.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.132 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.552 ' C ' ' O ' ' A' ' 53' ' ' ASP . 3.9 ptm180 27.71 34.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.089 0.471 . . . . 0.0 110.119 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.681 ' N ' ' O ' ' A' ' 53' ' ' ASP . 35.1 t -82.88 -44.31 15.57 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.585 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.571 ' O ' ' OXT' ' A' ' 57' ' ' LYS . 52.2 p-10 -70.88 91.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.412 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.571 ' OXT' ' O ' ' A' ' 56' ' ' ASN . 39.1 mttt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.4 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 4.7 pttt -168.49 156.31 8.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.001 0.429 . . . . 0.0 111.25 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -158.99 -174.21 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.953 179.113 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.446 ' CZ ' HG21 ' A' ' 9' ' ' VAL . 40.5 m-85 -100.92 94.68 6.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.009 0.433 . . . . 0.0 110.687 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -90.52 -52.71 4.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.61 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -126.84 40.49 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.05 -31.96 3.61 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -95.62 110.8 22.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.35 . . . . 0.0 110.6 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.446 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 57.9 t -38.02 94.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.459 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 8' ' ' LYS . 17.7 m -77.59 141.26 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.095 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' CYS . 4.1 t -93.42 54.17 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.771 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -40.35 128.35 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.148 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.663 ' C ' ' H ' ' A' ' 15' ' ' ASP . 1.8 t-80 -163.44 -166.45 1.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.764 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.486 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 6.5 tpm_? 62.45 -13.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.768 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.663 ' H ' ' C ' ' A' ' 13' ' ' HIS . 19.0 t70 -166.58 -54.27 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.734 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.25 126.79 29.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -127.7 -8.16 5.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.232 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -129.82 137.91 50.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.823 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.454 ' C ' HD22 ' A' ' 56' ' ' ASN . 58.5 m -102.2 139.97 37.11 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.634 ' CE1' ' N ' ' A' ' 36' ' ' GLY . 23.3 p90 -125.31 149.2 48.29 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.793 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.93 85.53 2.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.164 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 16.5 t-20 -63.55 127.98 33.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.797 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.61 -20.25 13.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.365 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.649 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -50.96 149.71 6.86 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -113.55 135.76 21.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.87 176.42 9.89 Favored 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 122.572 2.181 . . . . 0.0 112.19 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.538 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -63.71 -47.68 80.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.507 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.617 ' C ' ' H ' ' A' ' 30' ' ' LEU . 46.9 mtm180 -70.73 133.16 46.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.476 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -68.63 33.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.565 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.617 ' H ' ' C ' ' A' ' 28' ' ' ARG . 4.8 mp -134.11 162.09 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt 50.84 65.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.625 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mp -87.27 23.44 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.437 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 mm -122.71 130.87 74.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.334 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 0.5 OUTLIER -145.09 51.03 1.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.261 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -98.44 139.16 34.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.428 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.634 ' N ' ' CE1' ' A' ' 20' ' ' TYR . . . -165.67 -163.11 18.42 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.56 165.53 14.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.061 0.457 . . . . 0.0 110.808 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -173.24 164.62 4.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.446 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.503 ' OG ' ' OD2' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -87.67 -43.51 11.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.393 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.8 t -117.74 72.31 0.85 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.403 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 42.9 t -66.17 144.34 56.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.477 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.97 86.69 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.652 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' C ' ' OG1' ' A' ' 44' ' ' THR . 33.4 tt0 -49.77 142.24 8.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.698 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.606 ' O ' ' N ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -177.46 139.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.521 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 44' ' ' THR . 1.6 mm-40 -37.11 -23.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.742 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.649 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 58.8 t-20 -91.91 -39.14 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.507 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -130.83 117.9 20.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.562 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.51 166.74 11.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 m -137.97 124.09 20.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.03 -165.23 1.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.003 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.577 ' O ' ' OG ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -158.1 23.33 0.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.971 0.415 . . . . 0.0 110.568 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.447 ' CG2' ' H ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -129.27 -162.71 1.22 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.142 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -93.57 144.32 25.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.419 179.781 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 53' ' ' ASP . 11.7 ptt180 34.41 46.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.506 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.6 t -75.75 -30.64 59.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.373 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.546 ' OD1' ' N ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -82.82 43.79 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.387 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.536 ' O ' ' O ' ' A' ' 56' ' ' ASN . 6.2 mtpm? . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.415 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.445 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -126.38 155.59 41.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.814 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.456 ' HB3' HD22 ' A' ' 56' ' ' ASN . 0.0 OUTLIER -154.48 -176.38 5.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.369 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.407 ' CE1' HG23 ' A' ' 9' ' ' VAL . 39.0 m-85 -101.0 95.42 6.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.002 0.43 . . . . 0.0 110.458 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.456 ' OE1' ' SG ' ' A' ' 37' ' ' CYS . 16.6 tt0 -97.96 -31.11 12.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.319 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -136.37 44.22 2.42 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.05 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.74 -38.33 2.81 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -92.28 -178.53 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.407 HG23 ' CE1' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -98.41 103.74 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.931 0.395 . . . . 0.0 110.816 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.4 m -90.3 151.32 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.275 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.18 66.17 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.749 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 m -44.32 130.34 6.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.122 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.579 ' C ' ' H ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -155.62 -155.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.967 -179.434 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.485 ' C ' ' CG ' ' A' ' 15' ' ' ASP . 18.0 ttt180 63.02 -5.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.606 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.601 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER 164.98 -42.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.517 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.3 mtt -65.61 105.72 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.554 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.484 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 53.5 mttt -116.02 12.28 15.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.701 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 17' ' ' LYS . 67.6 m-85 -147.07 139.59 24.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.5 m -100.52 142.77 31.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.637 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 5.7 p90 -128.35 146.09 50.87 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.689 -179.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.685 ' CG ' ' OE1' ' A' ' 35' ' ' GLN . 4.2 t60 -117.25 91.62 3.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.627 179.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.568 ' CG ' HD22 ' A' ' 47' ' ' ASN . 15.4 t30 -76.91 119.85 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.375 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 24' ' ' GLY . 24.7 p -99.41 -16.81 18.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.693 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.498 ' N ' ' OD1' ' A' ' 22' ' ' ASN . . . 42.31 -166.67 0.01 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.78 168.11 22.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.916 0.389 . . . . 0.0 110.529 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.569 ' O ' ' O ' ' A' ' 27' ' ' PHE . 72.9 Cg_exo -42.9 -68.58 0.1 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.907 2.405 . . . . 0.0 112.157 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.569 ' O ' ' O ' ' A' ' 26' ' ' PRO . 2.4 m-85 52.39 156.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.586 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -157.41 97.23 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.493 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.586 ' ND2' ' N ' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -137.17 -90.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.775 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.431 ' H ' ' CG ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -143.51 -67.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.606 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -87.55 87.61 7.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.712 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.2 mt -91.22 35.39 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.45 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.468 HG23 HD11 ' A' ' 33' ' ' ILE . 6.6 mm -124.6 128.9 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.555 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.2 71.3 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.579 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.685 ' OE1' ' CG ' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -98.23 142.57 29.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.472 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.637 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -174.67 163.72 34.29 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.456 ' SG ' ' OE1' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -96.54 168.98 10.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.884 0.373 . . . . 0.0 110.739 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -168.71 160.14 10.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.495 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.5 t -96.44 -21.01 18.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' CYS . 0.9 OUTLIER -135.31 36.47 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.745 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 48' ' ' LYS . 36.8 t -36.56 129.46 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.63 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.3 p -86.95 85.86 7.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.691 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.502 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 20.4 tt0 -53.56 125.55 18.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.762 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.627 ' N ' ' O ' ' A' ' 47' ' ' ASN . 1.2 p -158.51 -176.24 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.445 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.31 -35.08 73.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 24' ' ' GLY . 3.8 t-20 -86.88 -46.19 10.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.942 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.627 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.6 m-80 -116.19 116.3 27.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.261 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.49 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 2.0 mtpm? -97.43 -177.25 3.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 8.9 m -152.7 130.81 11.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.624 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 p -142.66 153.4 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.62 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.529 ' O ' ' OG ' ' A' ' 51' ' ' SER . 4.0 t -139.78 42.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.56 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.28 24.27 12.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.581 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.56 ' O ' ' O ' ' A' ' 52' ' ' THR . 1.1 m-20 53.88 127.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 58.8 29.3 18.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 56' ' ' ASN . 29.9 p -71.11 -38.71 72.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.605 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.458 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -89.98 74.95 7.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.61 -179.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 pttm . . . . . 0 C--O 1.219 -0.552 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.592 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.46 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -168.08 158.55 10.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.896 -179.792 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.577 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -155.08 179.01 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.409 179.624 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.46 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 37.9 m-85 -82.07 89.0 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.732 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.536 ' C ' ' HD1' ' A' ' 6' ' ' HIS . 2.6 tt0 -89.35 -40.31 12.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.713 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.536 ' HD1' ' C ' ' A' ' 5' ' ' GLN . 2.2 m80 -126.13 48.33 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.65 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.32 -6.63 21.54 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.32 129.46 39.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 0.0 110.427 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.46 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -55.27 99.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.514 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.54 162.76 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 m -75.52 97.17 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.577 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 63.1 m -49.71 152.0 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.262 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.566 ' O ' ' O ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -35.71 163.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.608 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -36.83 84.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.69 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -39.38 68.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.35 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.444 ' SD ' ' HB2' ' A' ' 13' ' ' HIS . 24.1 mtt -68.3 106.86 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.394 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -120.27 14.11 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 14.3 m-85 -142.0 130.58 22.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.313 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 m -100.46 141.15 33.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.636 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.641 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 43.9 p90 -122.86 145.79 48.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.231 0.538 . . . . 0.0 111.686 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.651 ' N ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -113.81 85.6 2.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.837 179.307 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.514 ' C ' ' OD1' ' A' ' 22' ' ' ASN . 10.3 t-20 -81.36 130.76 35.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.027 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.456 ' H ' ' HG1' ' A' ' 23' ' ' THR . 0.0 OUTLIER -112.28 -19.86 12.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.209 179.685 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' OD1' ' A' ' 46' ' ' ASN . . . 48.17 -112.98 1.27 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -115.74 88.57 20.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.777 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -80.61 13.25 2.33 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.774 2.316 . . . . 0.0 112.063 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.96 -0.3 25.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.593 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.17 -44.67 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.606 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.582 ' C ' ' H ' ' A' ' 31' ' ' LYS . 12.6 t-20 -144.44 -21.72 0.54 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.504 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tt 68.36 -37.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.679 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.582 ' H ' ' C ' ' A' ' 29' ' ' ASN . 17.4 ttmt -84.19 55.77 3.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.584 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -131.22 39.16 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.7 mm -41.83 126.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.762 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mt -125.44 56.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.478 HE21 ' HB2' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -86.57 139.41 30.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.814 -179.79 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.641 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -172.46 -174.68 39.94 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -116.8 166.53 12.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.024 0.44 . . . . 0.0 110.86 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.44 166.35 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.82 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -45.95 5.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.124 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.592 ' O ' ' O ' ' A' ' 41' ' ' CYS . 0.3 OUTLIER -109.89 52.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.065 179.529 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.737 ' SG ' ' N ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -37.28 170.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.142 -179.652 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.737 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 31.6 t -143.42 58.48 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.17 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' C ' ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -28.94 145.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.763 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.645 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -167.16 -171.91 1.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.638 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.34 -32.74 37.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.433 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -97.81 -18.26 18.86 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.633 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.645 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -131.5 110.01 10.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.077 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' NZ ' ' O ' ' A' ' 45' ' ' GLU . 2.2 mptp? -95.76 171.99 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.68 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.2 m -143.97 139.42 29.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.965 0.412 . . . . 0.0 111.383 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 t -135.88 156.63 48.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.439 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.548 ' O ' ' OG ' ' A' ' 51' ' ' SER . 1.5 t -122.66 24.1 9.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.504 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.93 161.46 18.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.566 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.41 128.78 33.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.417 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 64.59 35.47 9.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.005 0.431 . . . . 0.0 110.123 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.4 t -76.9 -39.58 50.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.468 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.493 ' ND2' ' N ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -79.93 178.09 8.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.634 -179.743 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.8 tptt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.436 179.919 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.597 ' H2 ' ' CD ' ' A' ' 2' ' ' LYS . 11.3 mt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.623 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -168.02 -177.73 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.539 179.798 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.623 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -173.42 176.79 2.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.62 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.44 ' CE1' HG23 ' A' ' 9' ' ' VAL . 30.6 m-85 -79.08 86.6 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.056 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.563 ' OE1' ' SG ' ' A' ' 12' ' ' CYS . 1.1 tt0 -89.67 -44.25 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.067 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.62 37.73 4.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.784 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.18 -6.28 83.74 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.39 125.28 22.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.684 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.44 HG23 ' CE1' ' A' ' 4' ' ' TYR . 16.8 t -44.31 98.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.243 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.38 151.54 24.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.4 m -78.99 107.6 11.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.395 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.563 ' SG ' ' OE1' ' A' ' 5' ' ' GLN . 1.2 m -58.74 -166.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.333 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -53.04 174.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.115 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -88.48 3.42 50.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.626 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -112.1 -23.59 10.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.749 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.522 ' SD ' ' C ' ' A' ' 37' ' ' CYS . 55.3 mtt -86.42 123.82 32.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 0.0 110.814 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -117.28 -7.53 11.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.719 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -115.67 135.68 53.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.004 0.43 . . . . 0.0 110.686 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.7 m -105.63 148.91 26.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.353 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.686 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 21.9 p90 -143.11 159.92 41.38 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.607 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -125.66 87.82 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.945 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.684 HD22 ' ND2' ' A' ' 47' ' ' ASN . 1.2 m-80 -65.72 137.83 57.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.72 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 p -111.32 -21.53 11.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.54 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.494 ' C ' ' OD1' ' A' ' 46' ' ' ASN . . . 60.36 -167.96 9.41 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.5 mtt -54.09 143.7 42.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.346 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -72.57 111.37 3.21 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.642 2.228 . . . . 0.0 112.277 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -132.14 -176.28 4.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.435 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -124.55 0.5 8.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.897 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.606 ' OD1' ' N ' ' A' ' 30' ' ' LEU . 30.9 p-10 -58.02 -18.67 25.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.606 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 2.9 tp 57.09 40.42 28.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.778 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.41 56.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.437 ' HG ' HD22 ' A' ' 29' ' ' ASN . 6.2 mt -134.47 83.92 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' A' ' 33' ' ' ILE . 1.1 tp -114.96 104.21 16.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.731 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mp -117.64 21.24 13.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.16 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.439 ' CD ' ' O ' ' A' ' 4' ' ' TYR . 16.7 pt20 -57.87 135.51 56.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.908 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.686 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -168.42 -179.99 41.09 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.546 -1.021 . . . . 0.0 110.546 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.522 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -108.91 168.03 9.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.019 0.438 . . . . 0.0 110.891 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.407 ' HA ' ' SD ' ' A' ' 16' ' ' MET . 0.3 OUTLIER -159.02 162.38 36.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.762 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.05 -28.58 17.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.423 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.5 ' O ' ' C ' ' A' ' 41' ' ' CYS . 1.3 m -132.35 33.45 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.376 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 40' ' ' SER . 16.0 t -30.64 125.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.669 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' ' C ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -93.69 79.62 4.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.536 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.574 ' OE2' ' O ' ' A' ' 49' ' ' CYS . 10.0 mm-40 -32.44 140.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -161.35 174.23 13.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.543 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.504 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 6.8 tm-20 -74.36 -26.13 59.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.479 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.494 ' OD1' ' C ' ' A' ' 24' ' ' GLY . 0.4 OUTLIER -97.84 -12.09 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.957 179.717 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.684 ' ND2' HD22 ' A' ' 22' ' ' ASN . 9.3 t-20 -144.83 113.81 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.169 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -105.79 138.36 42.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.756 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.574 ' O ' ' OE2' ' A' ' 43' ' ' GLU . 2.5 m -113.43 127.82 56.24 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.1 t -106.68 170.81 7.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.189 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.571 ' O ' ' OG ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -128.63 22.81 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 110.586 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -123.7 -169.52 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.446 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.4 m-20 -90.7 153.58 20.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.512 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER 35.2 25.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.185 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.644 ' N ' ' O ' ' A' ' 53' ' ' ASP . 24.0 t -104.73 3.73 31.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.526 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.7 p-10 -30.89 -32.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.219 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.641 ' N ' ' O ' ' A' ' 55' ' ' CYS . 5.9 mmtp . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.505 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.45 -177.37 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.668 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.643 ' SG ' ' ND2' ' A' ' 56' ' ' ASN . 0.5 OUTLIER -173.07 171.99 4.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.681 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.709 ' H ' HD22 ' A' ' 56' ' ' ASN . 39.3 m-85 -79.12 89.92 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.747 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -96.89 -27.97 14.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.492 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -138.91 44.57 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.519 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.6 2.88 70.59 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.95 126.6 16.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.556 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.5 m -51.85 95.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.377 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.6 m -112.77 153.88 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.653 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.501 ' O ' ' O ' ' A' ' 12' ' ' CYS . 6.2 m -75.67 86.29 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.962 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.501 ' O ' ' O ' ' A' ' 11' ' ' THR . 24.3 m -42.91 170.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.063 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -61.77 166.38 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.919 0.39 . . . . 0.0 111.052 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -29.13 70.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.196 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -40.45 97.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.364 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.0 mtt -74.82 113.57 12.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.817 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' C ' ' CG ' ' A' ' 18' ' ' PHE . 4.2 mttt -120.57 17.8 12.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.997 0.427 . . . . 0.0 110.011 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.403 ' CG ' ' C ' ' A' ' 17' ' ' LYS . 43.9 m-85 -152.77 134.44 14.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.268 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 56' ' ' ASN . 23.1 t -99.43 152.99 19.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.66 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 38.5 p90 -141.37 145.73 35.76 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.9 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -114.49 94.03 4.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.892 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -90.09 130.99 36.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.988 0.423 . . . . 0.0 111.151 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.612 ' OG1' ' ND2' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -95.33 -31.17 13.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.283 179.65 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . 60.76 151.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.455 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 1.1 ttt -158.38 54.01 0.69 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.926 0.393 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 25' ' ' MET . 46.4 Cg_endo -72.17 -83.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.762 2.308 . . . . 0.0 112.17 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.94 -93.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.555 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -118.95 -179.95 3.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.542 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' LEU . 13.2 t-20 -47.66 -69.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.522 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 29' ' ' ASN . 2.4 mm? 43.98 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -132.54 57.07 1.81 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 mp -79.08 124.85 28.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.587 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.478 ' O ' ' CG2' ' A' ' 33' ' ' ILE . 3.6 tt -106.46 126.22 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.513 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -124.0 52.27 1.48 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.347 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.673 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -70.36 140.72 52.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.84 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.66 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . -172.2 176.54 45.2 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 164.5 11.88 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.705 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.471 ' HG ' ' H ' ' A' ' 40' ' ' SER . 34.5 t -167.81 141.26 3.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.687 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.94 -10.73 59.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.469 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.552 ' O ' ' OG ' ' A' ' 40' ' ' SER . 1.6 t -152.12 56.46 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 42' ' ' SER . 1.9 t -50.41 152.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.775 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.532 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -102.58 88.03 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.392 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.66 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 31.1 tt0 -59.74 121.89 12.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.685 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -151.25 -146.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.514 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -93.61 -39.81 10.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.737 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.612 ' ND2' ' OG1' ' A' ' 23' ' ' THR . 0.8 OUTLIER -92.05 -30.09 16.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.302 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 42' ' ' SER . 4.6 t30 -121.54 112.35 18.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.513 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -103.8 158.08 16.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.699 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.66 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 9.8 m -117.67 137.54 52.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.11 -173.23 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.315 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 m -156.45 26.67 0.34 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.256 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.0 m -135.9 163.53 30.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.586 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.65 135.56 40.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.33 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 66.07 34.64 6.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.475 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.76 -45.77 16.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.337 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.709 HD22 ' H ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -77.67 173.03 12.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.542 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.486 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 171.08 19.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.535 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 t -166.63 -163.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.276 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.424 ' CE2' ' HA ' ' A' ' 57' ' ' LYS . 25.3 m-85 -90.66 91.77 8.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.09 0.472 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.416 ' HG3' ' SG ' ' A' ' 12' ' ' CYS . 3.8 tt0 -90.67 -41.12 11.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.795 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -132.41 43.96 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.661 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.59 1.8 72.77 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' CB ' ' HZ1' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -136.93 121.0 17.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.784 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.6 t -44.06 100.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.32 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.7 m -136.04 157.87 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.819 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.0 m -76.33 108.85 9.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.606 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.416 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 0.5 OUTLIER -58.55 -163.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.313 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.676 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.8 t-80 -132.15 -147.75 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.713 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 37.45 20.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.272 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.676 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER 55.87 59.55 3.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.304 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.702 ' SD ' ' N ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -64.57 140.6 58.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.421 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.565 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 1.9 tmtt? -120.82 -2.22 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.655 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.702 ' N ' ' SD ' ' A' ' 16' ' ' MET . 54.9 m-85 -149.75 141.05 23.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.975 0.417 . . . . 0.0 111.022 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.453 ' HB3' ' SG ' ' A' ' 50' ' ' CYS . 24.3 t -101.67 153.09 20.08 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.67 ' CE2' ' C ' ' A' ' 36' ' ' GLY . 52.5 p90 -140.6 135.52 31.85 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.936 -0.706 . . . . 0.0 111.764 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.747 ' CG ' ' ND2' ' A' ' 56' ' ' ASN . 6.4 t-160 -103.11 86.42 2.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.849 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -64.94 129.55 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.0 t -138.03 5.25 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.62 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 23' ' ' THR . . . -27.04 146.27 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.446 ' HE1' ' H ' ' A' ' 31' ' ' LYS . 1.7 mmt -121.72 72.94 32.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.75 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.37 -157.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.624 2.216 . . . . 0.0 112.081 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.551 ' O ' ' O ' ' A' ' 28' ' ' ARG . 1.8 m-85 -89.92 157.65 17.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.826 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.551 ' O ' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER 54.17 146.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.815 179.703 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 71.87 161.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.858 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.06 149.5 36.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.382 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' H ' ' HE1' ' A' ' 25' ' ' MET . 1.3 tttp 54.5 80.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.575 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.89 141.46 33.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.3 mm -107.85 111.53 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.762 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mt -135.05 38.54 2.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.377 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 4' ' ' TYR . 5.1 pt20 -72.95 137.82 45.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.62 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.67 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -165.25 -179.45 39.11 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.39 159.91 22.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.772 0.32 . . . . 0.0 110.592 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 40' ' ' SER . 1.9 t -166.81 146.23 5.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.716 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.526 ' O ' ' OG ' ' A' ' 39' ' ' SER . 1.3 t -73.04 18.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.342 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.555 ' H ' ' C ' ' A' ' 38' ' ' SER . 0.3 OUTLIER -176.64 87.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.488 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.689 ' SG ' ' N ' ' A' ' 42' ' ' SER . 23.4 t -84.85 168.97 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.694 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.689 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 42.1 t -121.84 95.43 4.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.479 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.601 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 0.4 OUTLIER -55.97 95.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.425 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 47' ' ' ASN . 1.0 OUTLIER -147.37 141.93 26.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.709 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -42.48 -24.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.971 0.415 . . . . 0.0 110.208 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -80.63 -42.94 21.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.179 179.587 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.614 ' ND2' ' SG ' ' A' ' 41' ' ' CYS . 0.2 OUTLIER -136.51 107.86 6.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.392 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -76.79 164.17 26.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.605 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 31.4 m -130.64 135.8 48.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.892 0.377 . . . . 0.0 111.068 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.701 ' SG ' ' N ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -118.22 177.97 4.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.558 179.229 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.701 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 2.9 t -150.02 31.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.555 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 1.8 m -144.47 148.91 35.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.403 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.01 129.12 38.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.478 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 72.17 30.04 2.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.673 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.555 ' SG ' ' O ' ' A' ' 52' ' ' THR . 2.4 p -77.66 -56.83 4.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.519 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.747 ' ND2' ' CG ' ' A' ' 21' ' ' HIS . 2.5 t-20 -66.52 166.3 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.445 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.563 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.491 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.572 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 3.1 pttt -160.75 163.43 32.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.572 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -168.54 -168.32 0.89 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.087 179.716 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.451 ' HB2' ' ND2' ' A' ' 56' ' ' ASN . 49.5 m-85 -96.88 93.43 6.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.126 0.489 . . . . 0.0 110.551 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.405 ' O ' ' CD ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -96.18 -24.82 16.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.931 -179.715 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.443 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.0 t-80 -142.09 47.79 1.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.603 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.54 -29.57 2.28 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 6' ' ' HIS . 1.5 mttt -108.78 163.93 12.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 0.0 110.614 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.444 ' CG2' ' CZ ' ' A' ' 4' ' ' TYR . 68.0 t -78.38 101.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.65 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.51 155.94 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.339 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.9 m -95.52 88.35 5.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.387 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.6 m -56.59 164.83 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.63 ' C ' ' H ' ' A' ' 15' ' ' ASP . 2.7 t-160 -174.46 -147.31 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.861 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.56 ' O ' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER 61.55 -6.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.342 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.63 ' H ' ' C ' ' A' ' 13' ' ' HIS . 1.5 m-20 156.56 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.454 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.0 mtt -59.38 113.2 2.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.647 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -119.46 -3.91 10.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.639 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -133.02 141.87 48.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 14.1 m -100.26 130.95 46.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.651 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 8.7 p90 -109.85 153.97 23.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.116 0.484 . . . . 0.0 111.321 -179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.644 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 4.7 t60 -120.51 81.66 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.933 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.588 ' ND2' HD22 ' A' ' 46' ' ' ASN . 0.2 OUTLIER -78.61 125.53 29.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.297 -179.27 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.516 ' O ' ' O ' ' A' ' 24' ' ' GLY . 2.1 p -100.03 -20.59 15.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.202 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.722 ' H ' ' ND2' ' A' ' 46' ' ' ASN . . . 48.65 172.72 0.01 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.0 ttp -175.01 58.97 0.2 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.856 0.36 . . . . 0.0 110.628 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -77.6 -40.0 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.888 2.392 . . . . 0.0 112.341 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -134.42 167.4 20.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.792 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -73.02 117.63 14.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.304 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.539 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.7 OUTLIER 46.56 58.43 4.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.324 -179.827 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.567 ' O ' ' O ' ' A' ' 31' ' ' LYS . 5.1 tp -156.85 132.33 9.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.637 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.567 ' O ' ' O ' ' A' ' 30' ' ' LEU . 2.9 mtmt 44.96 106.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.514 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.614 ' O ' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -147.64 -170.58 3.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.789 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.614 ' O ' ' O ' ' A' ' 32' ' ' LEU . 1.1 mp 45.92 116.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -137.08 26.85 2.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.241 179.666 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.442 ' OE1' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -35.95 129.49 0.65 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.718 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.487 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -165.28 -175.12 35.62 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.19 163.07 13.1 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.822 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 t -173.77 153.25 2.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.447 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -80.74 -85.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.571 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' CYS . 2.7 m -74.41 45.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.434 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.416 ' H ' ' C ' ' A' ' 39' ' ' SER . 49.9 t -40.02 145.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.255 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.577 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.7 OUTLIER -107.37 81.31 1.51 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.811 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.753 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -46.77 115.96 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.335 179.642 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.625 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -146.73 -173.79 4.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.554 -179.834 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.26 -44.35 72.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.364 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.722 ' ND2' ' H ' ' A' ' 24' ' ' GLY . 6.8 t30 -88.39 -36.3 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.538 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.625 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.2 t-20 -119.55 101.7 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.615 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -86.25 -171.61 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.884 -179.787 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.753 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 45.1 m -154.79 126.79 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.217 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 19' ' ' CYS . 17.0 p -145.49 174.51 11.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 0.0 110.865 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.09 25.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.331 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.86 22.77 9.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.702 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER 66.26 144.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.704 179.809 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER 34.22 25.31 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.355 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.669 ' N ' ' O ' ' A' ' 53' ' ' ASP . 11.4 p -91.3 -5.43 54.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.697 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.644 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 1.9 p-10 -62.97 10.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.397 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.658 ' H ' ' C ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.536 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.593 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -160.58 157.43 27.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.593 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 72.4 m -156.51 -174.1 4.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 110.805 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -79.96 91.28 5.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.253 0.549 . . . . 0.0 110.406 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -102.64 -16.06 16.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.084 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -150.62 35.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.756 0.312 . . . . 0.0 110.594 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.99 -26.22 13.83 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.19 138.43 54.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.738 0.304 . . . . 0.0 110.496 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.77 98.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.518 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.5 m -118.28 152.35 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.6 m -79.0 119.05 21.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.502 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.7 m -65.98 -149.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.608 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.672 ' CD2' ' H ' ' A' ' 14' ' ' ARG . 3.7 t60 -78.41 -175.96 4.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.672 ' H ' ' CD2' ' A' ' 13' ' ' HIS . 21.6 mtp180 -91.99 9.24 33.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.597 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -115.78 -41.16 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.614 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.8 mpt? -60.2 135.58 57.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -132.85 -3.57 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.808 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -125.98 134.5 51.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.603 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.625 ' O ' ' N ' ' A' ' 50' ' ' CYS . 78.1 m -101.66 140.21 36.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.776 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.52 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 33.6 p90 -128.6 146.76 50.76 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.224 -0.591 . . . . 0.0 111.539 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -114.47 90.15 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.805 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -83.42 125.28 31.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.401 . . . . 0.0 111.052 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -102.18 -17.72 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.257 179.67 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.616 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . 48.94 -88.06 0.01 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.522 ' N ' ' O ' ' A' ' 23' ' ' THR . 4.8 mmt -117.31 144.32 33.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.445 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.491 ' O ' ' C ' ' A' ' 27' ' ' PHE . 37.9 Cg_endo -68.53 120.83 7.75 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.658 2.238 . . . . 0.0 112.181 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' A' ' 26' ' ' PRO . 24.7 m-85 -32.16 98.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.641 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.1 OUTLIER -118.23 -33.05 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.46 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -164.4 22.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.54 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -175.22 179.75 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.59 ' C ' ' H ' ' A' ' 33' ' ' ILE . 12.6 mmtm -123.16 76.37 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.53 32.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.781 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.59 ' H ' ' C ' ' A' ' 31' ' ' LYS . 1.2 tp -45.91 128.79 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.298 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt -139.37 25.55 2.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.959 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -66.29 132.57 48.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.298 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.52 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -167.27 -154.28 8.43 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.61 166.53 15.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.04 0.447 . . . . 0.0 110.951 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.758 ' HG ' ' H ' ' A' ' 39' ' ' SER . 29.8 t -158.66 170.68 21.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.459 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.758 ' H ' ' HG ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -100.19 -17.98 17.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.406 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 41' ' ' CYS . 61.2 m -145.49 44.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.43 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 48' ' ' LYS . 43.5 t -33.72 139.89 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.679 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.545 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.6 OUTLIER -107.04 76.26 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.511 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.773 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 1.4 tt0 -37.18 126.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.736 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.674 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -159.05 174.01 15.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.448 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.23 -38.21 88.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.591 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.616 ' ND2' ' N ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -89.67 -35.61 15.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.538 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.674 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.2 t30 -126.04 106.94 9.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.458 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 8.2 mtpp -87.73 -169.11 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.941 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.773 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 64.4 m -147.86 137.24 22.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.51 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.625 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -118.67 -167.58 1.4 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.524 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 52' ' ' THR . 16.7 m -131.28 32.29 4.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.523 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER 77.69 164.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.163 179.53 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.661 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER 81.33 63.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.572 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' ASP . 1.0 OUTLIER 37.23 21.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.345 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.661 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.8 t -61.73 -18.73 60.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.729 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.483 HD22 ' CA ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -65.59 10.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.334 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.602 ' H ' ' C ' ' A' ' 55' ' ' CYS . 7.2 ptmt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.666 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.419 ' H3 ' ' H ' ' A' ' 2' ' ' LYS . 3.4 tp . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.573 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -151.52 161.27 42.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.726 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.573 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -165.55 -172.95 2.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.575 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.756 ' H ' HD22 ' A' ' 56' ' ' ASN . 27.9 m-85 -90.99 94.12 9.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.022 0.439 . . . . 0.0 110.214 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -90.86 -41.2 11.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.185 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -127.91 47.46 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.991 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.04 -1.47 59.36 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -133.48 158.38 43.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.778 0.323 . . . . 0.0 110.335 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.473 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 19.3 t -74.78 103.82 2.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.373 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -111.68 146.4 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.817 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.511 ' CG2' ' O ' ' A' ' 11' ' ' THR . 10.2 t -97.35 98.62 10.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.407 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -174.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -57.83 170.2 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.696 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -21.15 63.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.605 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -75.28 -63.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.571 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.3 mtt -45.71 116.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.721 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -121.92 1.01 9.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.315 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -128.29 136.26 50.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.8 m -101.79 132.79 47.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.65 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.667 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 31.9 p90 -117.22 150.62 38.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.352 0.596 . . . . 0.0 111.826 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -125.4 106.1 9.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.793 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.563 ' OD1' ' OD1' ' A' ' 46' ' ' ASN . 0.7 OUTLIER -84.2 131.83 34.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.906 0.384 . . . . 0.0 110.739 -179.524 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p -107.73 -16.64 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.334 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.446 ' HA2' HD22 ' A' ' 46' ' ' ASN . . . 66.43 -163.28 43.04 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.581 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -117.81 95.9 48.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.587 0.232 . . . . 0.0 110.618 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -47.11 78.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.704 2.269 . . . . 0.0 112.303 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.581 ' N ' ' O ' ' A' ' 25' ' ' MET . 0.5 OUTLIER -129.47 -86.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.326 179.804 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 29' ' ' ASN . 3.9 ptp180 -99.74 117.09 33.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.227 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.459 ' O ' ' O ' ' A' ' 28' ' ' ARG . 7.3 t30 48.69 179.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.249 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.1 mt -122.44 136.92 55.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.886 0.374 . . . . 0.0 110.631 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.509 ' O ' ' O ' ' A' ' 32' ' ' LEU . 12.9 mttp -84.74 44.09 1.03 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.77 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.509 ' O ' ' O ' ' A' ' 31' ' ' LYS . 25.1 mt 42.42 -171.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.683 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 33' ' ' ILE . 3.0 tp -72.51 128.78 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.373 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.44 52.43 1.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.675 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.407 ' NE2' HG12 ' A' ' 33' ' ' ILE . 18.2 pt20 -100.58 135.2 42.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.493 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.667 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . -168.87 -171.64 34.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.08 159.82 15.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.877 0.37 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 t -170.83 127.42 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -73.5 160.44 31.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.33 179.624 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' SER . 43.9 t 37.98 47.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.185 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.6 t -66.83 142.99 57.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.782 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.39 87.25 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.553 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -41.5 121.63 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.625 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.641 ' HG1' ' H ' ' A' ' 47' ' ' ASN . 16.6 p -132.74 179.92 5.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.353 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.64 -36.6 65.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.527 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.564 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 19.2 t-20 -88.79 -37.34 15.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.296 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.641 ' H ' ' HG1' ' A' ' 44' ' ' THR . 0.1 OUTLIER -122.35 109.05 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.153 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -99.72 156.56 17.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 m -123.17 135.05 54.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.036 0.446 . . . . 0.0 111.138 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.11 172.06 7.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.392 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.9 p -138.0 22.52 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.67 156.8 42.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.331 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.549 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -73.84 142.05 46.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.399 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.55 40.13 29.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 t -84.45 -26.27 28.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.807 ' H ' HD21 ' A' ' 56' ' ' ASN . 0.0 OUTLIER -94.79 86.03 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.756 -179.75 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.606 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.528 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -169.7 159.02 7.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.363 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -165.65 -162.24 0.56 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.402 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.489 ' CZ ' HG23 ' A' ' 9' ' ' VAL . 46.2 m-85 -92.96 94.76 9.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.142 0.496 . . . . 0.0 110.472 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.406 ' OE1' ' NE2' ' A' ' 6' ' ' HIS . 0.5 OUTLIER -105.77 -24.37 12.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.761 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.406 ' NE2' ' OE1' ' A' ' 5' ' ' GLN . 15.7 m-70 -134.0 35.65 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.462 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.28 -13.66 32.24 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 143.52 50.89 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.489 HG23 ' CZ ' ' A' ' 4' ' ' TYR . 2.2 t -56.09 101.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.512 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.6 m -131.32 157.78 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.37 106.23 10.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.371 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -159.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.846 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -43.05 154.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.699 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.2 mtt85 -82.66 41.83 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.439 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -158.47 -3.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.073 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.618 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -74.36 138.02 43.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.606 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.652 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 4.0 mtpm? -125.33 6.62 7.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.652 ' CD1' ' C ' ' A' ' 17' ' ' LYS . 71.7 m-85 -156.83 138.6 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.788 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 56.9 m -103.21 140.77 36.93 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.609 ' CD1' ' OD1' ' A' ' 47' ' ' ASN . 10.8 p90 -136.13 148.54 48.27 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.574 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.673 ' CG ' ' ND2' ' A' ' 56' ' ' ASN . 3.3 t-160 -111.37 99.22 8.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.16 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.733 ' ND2' ' H ' ' A' ' 24' ' ' GLY . 1.7 t-20 -80.06 135.64 36.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.786 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.554 ' N ' ' ND2' ' A' ' 22' ' ' ASN . 23.2 p -109.32 -22.11 12.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.299 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.733 ' H ' ' ND2' ' A' ' 22' ' ' ASN . . . 63.36 110.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.571 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -95.66 -46.24 0.26 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.832 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 25' ' ' MET . 52.9 Cg_exo -49.21 118.28 3.47 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.674 2.249 . . . . 0.0 112.242 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 67.87 179.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.67 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 30' ' ' LEU . 1.4 mpt_? -104.09 -63.98 1.15 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 30' ' ' LEU . 5.6 m-80 38.98 30.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.643 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 28' ' ' ARG . 2.4 tp 76.12 -162.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.497 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -109.04 57.56 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.511 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mp -58.11 124.93 21.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.728 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.445 HD12 ' NE2' ' A' ' 21' ' ' HIS . 1.7 tp -78.24 130.95 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt -131.41 45.34 2.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.663 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.543 HE21 ' ND2' ' A' ' 56' ' ' ASN . 1.3 pt20 -73.41 126.08 29.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.524 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.482 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -157.36 167.08 33.91 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -111.25 170.97 7.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.975 0.416 . . . . 0.0 110.769 -179.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.95 171.33 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.753 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 t -84.07 -42.57 15.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.547 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.0 t -120.82 85.31 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.4 t -86.0 136.74 33.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.39 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.79 94.09 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' HG3' ' SG ' ' A' ' 49' ' ' CYS . 6.2 mp0 -43.81 138.26 2.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.533 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.629 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -168.11 145.56 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.915 0.388 . . . . 0.0 110.655 179.777 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -44.14 -20.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.585 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 32.2 t-20 -95.81 -35.98 11.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.198 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.629 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -133.37 120.64 21.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.078 179.717 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -111.23 134.94 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.636 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.45 ' SG ' ' HG3' ' A' ' 43' ' ' GLU . 1.8 m -103.42 140.91 36.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.969 0.414 . . . . 0.0 111.042 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 p -141.13 130.66 23.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.512 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.18 40.5 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.661 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.482 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.63 22.55 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.524 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.693 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER 56.2 152.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.651 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' A' ' 53' ' ' ASP . 7.1 ptp180 30.48 29.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.818 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.693 ' N ' ' O ' ' A' ' 53' ' ' ASP . 29.9 p -70.56 -40.92 73.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.014 0.435 . . . . 0.0 110.418 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.673 ' ND2' ' CG ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -69.34 53.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.793 -179.785 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.526 179.773 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.3 tp . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.669 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -158.02 152.99 25.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.237 179.647 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.669 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 36.2 m -158.2 -161.8 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.057 0.455 . . . . 0.0 111.166 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -88.4 91.0 8.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.517 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.434 ' HG3' ' SG ' ' A' ' 37' ' ' CYS . 3.3 tt0 -91.74 -38.06 12.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.69 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -130.63 46.02 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.484 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.1 0.81 61.73 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.18 143.77 44.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.31 . . . . 0.0 110.508 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.419 HG23 ' NE ' ' A' ' 54' ' ' ARG . 51.9 t -63.54 100.16 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.649 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 m -137.87 158.07 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.2 m -73.42 126.62 30.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.553 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.7 m -73.54 -174.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.506 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.444 ' CB ' ' SD ' ' A' ' 16' ' ' MET . 0.7 OUTLIER -67.07 163.77 19.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.576 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -65.13 -31.56 72.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.01 -36.99 80.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.444 ' SD ' ' CB ' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -72.14 130.88 41.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.823 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -126.76 -8.25 6.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.649 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -129.39 137.86 51.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.7 m -98.03 148.83 23.11 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.621 ' CE2' ' C ' ' A' ' 36' ' ' GLY . 27.7 p90 -138.1 148.93 45.48 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.479 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.769 ' ND1' ' ND2' ' A' ' 56' ' ' ASN . 3.5 t-160 -126.03 120.1 29.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.463 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -108.17 128.72 54.95 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.282 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -110.12 -13.65 14.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.344 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -86.5 -145.91 9.34 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 24' ' ' GLY . 23.6 mtp 35.64 65.06 1.99 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.665 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -66.84 61.65 0.58 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.773 2.315 . . . . 0.0 112.138 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -79.28 -13.01 59.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.554 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 mtp85 -102.01 -177.39 3.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -123.59 -14.79 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.623 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 31' ' ' LYS . 27.1 tp -149.33 154.3 38.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.646 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.644 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER 35.82 51.76 0.74 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.463 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.92 84.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.724 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.644 ' N ' ' O ' ' A' ' 31' ' ' LYS . 2.6 tp -96.75 99.31 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.344 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.577 ' N ' ' OE1' ' A' ' 35' ' ' GLN . 4.5 mp -125.0 21.53 8.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.534 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.577 ' OE1' ' N ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -85.14 138.07 32.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.84 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.621 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -159.74 -161.09 10.98 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.434 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -120.53 164.62 16.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.499 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.6 t -166.18 150.66 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -34.06 43.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.399 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.483 ' O ' ' OG ' ' A' ' 40' ' ' SER . 10.0 p -128.53 62.89 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 48.6 t -62.09 151.46 35.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.685 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.03 89.68 3.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.579 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -51.88 108.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.51 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 p -134.16 -171.35 2.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.507 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -80.57 -34.48 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.34 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 5.3 t30 -85.05 -41.25 15.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.133 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.542 ' C ' ' OD1' ' A' ' 47' ' ' ASN . 2.4 t30 -121.02 114.85 22.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.484 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.65 163.75 13.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.746 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 m -139.35 124.27 18.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.41 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.474 ' C ' ' HG ' ' A' ' 51' ' ' SER . 1.6 p -122.61 -170.37 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.501 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.474 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 0.5 OUTLIER -146.23 27.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.965 -179.767 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.466 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 99.3 m -128.39 161.36 29.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 110.684 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.434 ' N ' ' CG2' ' A' ' 52' ' ' THR . 3.8 t70 -60.09 136.7 58.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.641 -179.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.419 ' NE ' HG23 ' A' ' 9' ' ' VAL . 13.2 ttm180 43.81 44.51 5.72 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.343 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' A' ' 57' ' ' LYS . 27.1 p -89.78 -24.62 21.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.697 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.769 ' ND2' ' ND1' ' A' ' 21' ' ' HIS . 2.2 p-10 -29.63 -37.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.64 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.556 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.545 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.886 0.374 . . . . 0.0 110.582 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.545 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 7.5 m -165.75 -167.07 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.207 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.537 ' O ' ' OE1' ' A' ' 35' ' ' GLN . 32.5 m-85 -92.27 91.1 7.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.08 0.467 . . . . 0.0 110.31 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -94.78 -38.66 10.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.591 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -128.69 41.06 3.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.446 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.61 -3.01 44.91 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.762 ' O ' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -130.9 119.82 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 110.519 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.519 HG23 ' CZ ' ' A' ' 4' ' ' TYR . 94.9 t -43.2 95.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.199 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 8' ' ' LYS . 6.0 m -129.76 160.83 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.951 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 m -80.22 110.89 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.18 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -58.0 -156.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.773 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.576 ' CG ' ' H ' ' A' ' 14' ' ' ARG . 1.4 t-80 -143.51 -145.08 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.576 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 29.8 mtm-85 41.13 21.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.363 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' HIS . 15.9 t0 58.58 60.4 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.624 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -80.41 139.2 36.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.643 -179.687 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' SD ' ' A' ' 16' ' ' MET . 38.4 tttm -127.21 -3.84 6.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.183 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.518 ' N ' ' SD ' ' A' ' 16' ' ' MET . 57.4 m-85 -141.23 139.25 33.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.686 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' CYS . 64.4 m -104.01 138.32 40.72 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.685 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 35.0 p90 -124.71 145.08 49.88 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.465 -179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -114.14 74.76 0.89 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.26 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -69.03 122.49 18.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.694 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 24' ' ' GLY . 67.4 p -111.1 -10.63 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.458 ' HA2' HD21 ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.526 0.742 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.818 0.342 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.571 ' NE2' ' O ' ' A' ' 20' ' ' TYR . 1.8 tm0? -79.81 132.44 36.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.543 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.685 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -165.95 164.35 37.39 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.32 163.29 12.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.0 157.18 23.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.757 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t -69.02 -43.45 74.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.27 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -128.76 92.43 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.289 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.48 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 49.7 t -73.8 158.75 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 37.9 t -117.93 83.7 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.279 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.708 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 70.4 tt0 -50.23 111.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 42' ' ' SER . 0.2 OUTLIER -135.92 -167.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.47 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 45' ' ' GLU . 4.4 mm-40 -79.48 -41.12 28.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.397 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.458 HD21 ' HA2' ' A' ' 24' ' ' GLY . 3.7 t-20 -93.14 -30.33 15.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.363 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.605 ' ND2' ' O ' ' A' ' 42' ' ' SER . 2.8 t30 -117.95 98.16 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.505 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.27 176.31 9.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.592 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.708 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 61.9 m -140.22 135.2 32.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.939 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' CYS . 1.2 m -113.55 177.72 4.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.977 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.0 t -152.33 29.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.4 m -143.41 153.24 42.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.452 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' HB2' ' HZ2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -68.69 129.4 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.23 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 70.35 30.67 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.28 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.0 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.294 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.614 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.766 0.317 . . . . 0.0 110.396 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.614 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 78.8 m -157.58 -162.31 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.648 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -98.23 92.59 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.416 ' H ' HG23 ' A' ' 10' ' ' VAL . 31.0 tt0 -84.37 -43.48 14.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.531 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -127.39 48.27 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.247 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.89 -13.4 8.88 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 161.05 20.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.683 0.278 . . . . 0.0 110.406 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.1 t -73.47 104.92 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.672 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.416 HG23 ' H ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -127.9 154.98 39.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.384 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -84.57 101.5 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.524 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.1 m -50.95 149.75 3.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.433 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.01 164.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -68.44 -16.98 64.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.663 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -79.35 -41.96 26.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.5 mtt -69.1 125.86 28.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.652 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 38.3 mttt -122.76 8.9 9.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.385 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 42.2 m-85 -148.77 135.16 19.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.989 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.2 m -99.0 140.95 32.38 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.687 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 19.3 p90 -126.04 148.29 49.35 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.78 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.537 ' C ' ' ND1' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -113.62 95.47 5.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.717 179.583 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -87.97 135.61 33.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.52 -21.64 12.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.022 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.869 0.366 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -53.64 134.48 41.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.687 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -163.88 178.71 39.21 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.97 160.1 16.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 t -160.73 148.56 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.589 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -10.18 57.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.493 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.59 56.98 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.55 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 43.9 t -71.71 117.48 13.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.454 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 43' ' ' GLU . 1.4 p -90.4 93.72 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 42' ' ' SER . 3.2 mm-40 -34.28 121.63 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.551 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.59 ' N ' ' O ' ' A' ' 47' ' ' ASN . 1.3 p -150.4 151.91 33.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.465 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.49 -33.42 54.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 4.5 t-20 -90.58 -10.56 42.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.223 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 44' ' ' THR . 2.8 t30 -156.24 110.46 2.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.661 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -101.6 160.32 14.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.606 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.438 ' SG ' ' HG2' ' A' ' 43' ' ' GLU . 2.3 m -123.61 140.46 52.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.787 0.327 . . . . 0.0 110.71 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.2 p -141.03 154.31 45.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.562 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.21 33.54 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.377 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.567 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -110.23 22.09 15.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.558 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.666 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER 52.13 156.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.565 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.483 ' C ' ' O ' ' A' ' 53' ' ' ASP . 2.2 ttt180 34.08 25.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.666 ' N ' ' O ' ' A' ' 53' ' ' ASP . 6.2 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.549 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.678 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.678 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 77.3 m -162.34 -169.47 2.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.582 ' CE1' HG23 ' A' ' 9' ' ' VAL . 41.8 m-85 -89.78 89.54 7.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.167 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -96.79 -24.64 15.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.649 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -138.17 42.54 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.526 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.95 -12.95 9.71 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.762 ' O ' HG22 ' A' ' 10' ' ' VAL . 3.3 mtmm -128.41 139.73 52.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 110.367 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.582 HG23 ' CE1' ' A' ' 4' ' ' TYR . 61.5 t -56.71 100.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 8' ' ' LYS . 2.5 m -131.23 145.15 35.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.815 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.8 m -70.67 118.94 14.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.14 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -158.67 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.749 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.633 ' CG ' ' H ' ' A' ' 14' ' ' ARG . 7.2 t-80 -134.94 -144.53 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.709 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.633 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 29.6 ttt-85 41.28 23.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.296 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.8 OUTLIER 53.97 45.4 27.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.154 -179.792 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.629 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -57.34 136.88 56.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.605 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' H ' ' HA ' ' A' ' 39' ' ' SER . 41.1 mmtt -115.79 -3.48 12.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.478 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.615 ' N ' ' SD ' ' A' ' 16' ' ' MET . 97.7 m-85 -153.52 151.09 29.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.966 0.412 . . . . 0.0 111.072 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.479 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 96.3 m -108.3 145.66 34.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.773 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.684 ' CE2' ' O ' ' A' ' 36' ' ' GLY . 25.1 p90 -131.82 140.88 49.29 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.397 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -111.02 84.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.078 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -75.24 118.79 18.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.0 p -96.2 -20.98 18.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.351 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.474 ' O ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.896 0.379 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.571 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 7.5 tm0? -83.74 139.76 32.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.076 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.684 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -171.81 153.73 20.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.5 165.97 10.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.901 0.382 . . . . 0.0 111.203 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.9 t -168.14 159.93 11.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.591 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.457 ' HA ' ' H ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -79.13 -31.04 43.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.26 87.76 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.5 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 42' ' ' SER . 36.1 t -87.49 160.67 18.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.737 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.523 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 0.2 OUTLIER -116.79 92.33 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.586 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 43.7 mt-10 -51.76 106.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.479 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' ASN . 9.8 p -141.3 157.66 44.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.534 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -33.46 23.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.766 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.474 ' OD1' ' O ' ' A' ' 24' ' ' GLY . 2.5 t-20 -88.6 -38.71 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.669 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 42' ' ' SER . 1.1 t30 -128.09 105.73 8.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.489 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 2.0 mmmt -92.98 172.14 8.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.733 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 2.2 m -139.83 130.54 25.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.069 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -124.99 166.82 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.155 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.53 42.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.604 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.504 ' O ' ' O ' ' A' ' 53' ' ' ASP . 4.6 m -127.49 25.33 6.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.619 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 55' ' ' CYS . 4.7 m-20 54.6 154.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.417 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.531 ' C ' ' O ' ' A' ' 53' ' ' ASP . 1.4 ptt180 30.79 30.89 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.206 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.673 ' N ' ' O ' ' A' ' 53' ' ' ASP . 4.5 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.505 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.66 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.74 0.305 . . . . 0.0 110.395 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 35.2 m -165.82 178.69 6.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.499 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.454 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 54.5 m-85 -81.35 89.58 6.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.414 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.449 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 1.3 tm0? -96.45 -26.63 15.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.837 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -136.68 36.2 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.384 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.15 -6.69 82.87 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.47 ' O ' HG13 ' A' ' 10' ' ' VAL . 9.8 mtmt -139.54 145.92 39.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.322 . . . . 0.0 110.484 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.454 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 2.3 m -57.28 92.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.514 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 8' ' ' LYS . 34.5 m -117.03 142.45 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.804 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 11' ' ' THR . 7.9 t -62.93 112.09 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.484 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 76.4 m -61.41 -174.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.573 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 15' ' ' ASP . 3.0 m80 -65.07 133.87 52.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -41.37 -27.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.433 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -74.56 -53.63 9.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.554 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -63.14 135.33 57.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.299 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -130.83 -8.23 3.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 18.3 m-85 -119.17 140.98 49.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.3 m -99.76 139.17 35.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.59 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.615 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 26.6 p90 -124.1 145.9 48.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.463 0.649 . . . . 0.0 112.038 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -117.83 90.46 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.566 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 24' ' ' GLY . 1.7 t30 -77.37 110.26 11.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -10.86 44.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.198 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.577 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.893 0.378 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.609 ' NE2' ' O ' ' A' ' 20' ' ' TYR . 1.4 tm0? -83.06 127.34 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.615 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -158.43 -171.54 24.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.449 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -107.46 164.32 12.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.753 0.311 . . . . 0.0 110.523 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.79 130.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.743 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' ' C ' ' A' ' 40' ' ' SER . 0.8 OUTLIER -71.52 143.12 50.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.484 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 39' ' ' SER . 14.2 t 33.9 52.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.33 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 42' ' ' SER . 50.6 t -49.68 173.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.826 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.609 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 7.3 t -129.55 81.55 2.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.566 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 42' ' ' SER . 8.2 tm-20 -31.27 120.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.69 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.452 ' HB ' ' H ' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -131.23 176.22 8.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.42 179.817 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.96 -24.09 60.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.573 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.577 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 4.7 t-20 -112.49 -27.49 8.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.517 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.452 ' H ' ' HB ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -118.52 95.93 5.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.575 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -87.77 161.67 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.456 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.35 130.46 17.4 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.068 0.461 . . . . 0.0 111.333 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -110.94 -172.02 1.95 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.052 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 p -140.95 31.34 1.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.509 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.624 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -126.38 -171.55 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.459 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.624 ' H ' HG22 ' A' ' 52' ' ' THR . 0.0 OUTLIER -96.88 151.43 19.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.593 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 53' ' ' ASP . 7.0 ptt-85 33.4 39.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' ASP . 9.4 p . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.435 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.009 0.433 . . . . 0.0 110.924 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -154.25 -160.97 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.911 179.434 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.538 ' CE1' HG23 ' A' ' 9' ' ' VAL . 38.0 m-85 -97.89 93.76 6.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.279 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -95.02 -38.8 10.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.186 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.34 43.54 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.658 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.9 -13.03 20.77 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.563 ' O ' HG13 ' A' ' 10' ' ' VAL . 3.6 mmmt -124.78 154.61 40.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 0.0 110.351 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.538 HG23 ' CE1' ' A' ' 4' ' ' TYR . 64.1 t -69.06 103.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.439 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 8' ' ' LYS . 2.2 m -125.18 153.57 32.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.63 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.493 ' O ' HG23 ' A' ' 11' ' ' THR . 2.2 t -80.57 107.49 13.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.764 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 11.2 m -63.58 158.86 20.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.068 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.32 174.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.989 0.423 . . . . 0.0 111.002 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.0 ttp85 -67.67 -41.84 83.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.561 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.611 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -52.27 -53.73 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.344 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.442 ' SD ' ' HB3' ' A' ' 12' ' ' CYS . 2.3 mtt -58.2 127.18 30.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . 8.2 mttt -128.64 -1.65 5.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.632 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.481 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 71.5 m-85 -140.22 139.75 35.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.126 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 m -100.73 137.3 39.31 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.656 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 40.5 p90 -121.01 145.01 48.22 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.829 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -119.52 111.19 17.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.746 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -79.71 144.26 33.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.055 0.455 . . . . 0.0 111.336 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.3 -22.5 6.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.102 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.502 ' CA ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.526 0.742 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.024 0.44 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -104.78 134.02 48.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.661 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.656 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -171.0 177.76 43.8 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.71 163.03 12.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.802 0.334 . . . . 0.0 110.3 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.68 161.13 13.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.643 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.22 -72.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.397 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.3 p -83.77 55.91 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.329 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 18.4 t -50.47 146.18 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.801 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.63 83.04 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.459 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.562 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 16.7 tt0 -51.31 113.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.588 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 p -150.8 156.73 41.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.454 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 46' ' ' ASN . 10.8 pt-20 -49.66 -40.78 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.497 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.502 ' OD1' ' CA ' ' A' ' 24' ' ' GLY . 23.0 t30 -71.25 -44.25 65.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.157 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.585 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -132.56 111.41 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.287 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -81.27 175.53 10.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.923 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.562 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 80.9 m -142.46 128.52 19.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.336 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.75 169.78 12.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.426 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.22 28.81 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.481 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.78 163.15 19.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.457 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -77.21 123.12 26.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.873 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 66.61 28.45 9.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.857 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.328 -0.337 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.269 179.78 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 pttt . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.888 0.375 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.83 160.16 43.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.202 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.606 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 37.7 m-85 -68.32 86.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.166 0.508 . . . . 0.0 110.892 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.453 ' OE1' ' CE1' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -80.75 -55.1 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.15 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.453 ' CE1' ' OE1' ' A' ' 5' ' ' GLN . 1.5 m-70 -114.77 50.49 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.155 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.15 8.17 58.18 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.421 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -142.1 123.74 15.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.464 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.606 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -50.57 93.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.6 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 8' ' ' LYS . 12.0 m -115.92 142.71 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.755 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -68.29 121.01 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.503 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.549 ' O ' ' O ' ' A' ' 13' ' ' HIS . 60.6 m -73.65 -174.73 1.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.715 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.727 ' ND1' ' SD ' ' A' ' 16' ' ' MET . 2.7 m80 -51.09 -162.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -93.68 -32.66 13.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.408 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -81.4 -49.1 11.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.727 ' SD ' ' ND1' ' A' ' 13' ' ' HIS . 9.4 mtt -49.47 104.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.536 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -115.22 4.19 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.149 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.542 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 6.7 m-85 -130.05 133.74 46.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.784 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.5 m -99.49 134.05 42.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.655 ' CE2' ' C ' ' A' ' 36' ' ' GLY . 30.8 p90 -115.75 145.83 42.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.357 0.599 . . . . 0.0 111.571 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.663 ' N ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -113.82 109.89 19.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.672 179.4 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 23' ' ' THR . 27.6 t-20 -101.2 127.65 47.67 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.178 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.581 ' O ' ' O ' ' A' ' 24' ' ' GLY . 1.2 t -140.03 15.8 2.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.368 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.581 ' O ' ' O ' ' A' ' 23' ' ' THR . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.788 0.328 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 4' ' ' TYR . 26.1 pt20 -68.66 135.21 51.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.563 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.655 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -162.7 -176.99 35.34 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.94 162.38 13.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.389 . . . . 0.0 110.748 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 t -163.97 145.29 8.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.496 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -55.52 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.651 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.521 ' O ' ' OG ' ' A' ' 40' ' ' SER . 2.7 p -107.86 58.82 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.628 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 42.6 t -56.24 122.89 12.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.647 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.582 ' O ' ' OG1' ' A' ' 44' ' ' THR . 43.8 t -97.59 82.31 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.373 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.691 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 68.0 tt0 -36.03 131.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.667 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -159.69 151.58 20.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.449 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -41.99 -40.6 2.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.635 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.509 ' C ' ' OD1' ' A' ' 46' ' ' ASN . 14.1 t-20 -79.6 -46.56 17.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.381 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.667 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -125.16 112.95 17.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.464 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -86.8 -167.93 2.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.509 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.691 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 59.1 m -153.67 126.67 8.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.792 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -118.13 168.52 10.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.101 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 p -154.82 33.76 0.4 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.568 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -132.48 24.04 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.587 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER 49.79 164.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.518 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 53' ' ' ASP . 10.8 ttt180 37.27 20.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.979 0.418 . . . . 0.0 110.29 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.673 ' N ' ' O ' ' A' ' 53' ' ' ASP . 6.4 t . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.424 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.992 0.425 . . . . 0.0 110.952 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.424 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -160.93 -178.2 6.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.038 179.668 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.557 ' CZ ' HG22 ' A' ' 9' ' ' VAL . 41.2 m-85 -100.42 95.52 6.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.096 0.474 . . . . 0.0 110.788 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.507 ' HB2' HG21 ' A' ' 10' ' ' VAL . 22.3 tt0 -91.61 -45.36 8.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.717 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.49 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.6 t60 -124.87 51.53 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.626 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.64 -35.37 1.19 Allowed Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 6' ' ' HIS . 1.1 mttm -89.71 176.6 6.79 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.557 HG22 ' CZ ' ' A' ' 4' ' ' TYR . 17.3 t -95.98 107.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.527 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 5' ' ' GLN . 16.9 m -98.12 144.91 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.555 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.774 ' O ' HG22 ' A' ' 11' ' ' THR . 20.3 m -99.45 67.97 1.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -45.12 124.42 4.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.199 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.705 ' CG ' ' H ' ' A' ' 14' ' ' ARG . 13.4 t-80 -152.58 -159.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.796 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.705 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER 60.84 -3.48 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.562 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.549 ' H ' ' C ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER 173.34 -51.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.361 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.4 mtt -60.27 125.08 22.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.437 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.43 -8.6 5.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.718 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -134.75 140.21 45.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.193 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 38.8 m -99.62 141.2 32.73 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 5.0 p90 -127.57 159.93 33.12 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.844 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -137.15 98.22 3.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.732 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.456 ' OD1' ' C ' ' A' ' 22' ' ' ASN . 1.2 t-20 -84.27 109.26 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 0.0 110.714 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' GLY . 14.6 p -112.36 13.57 20.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.298 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.671 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.898 0.38 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -125.33 130.09 51.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.587 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.61 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -164.8 -177.66 37.55 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.22 163.54 12.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.938 0.399 . . . . 0.0 110.787 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -164.4 140.58 6.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.623 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -39.37 80.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.486 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -125.98 82.52 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.562 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.2 t -80.99 156.81 25.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.403 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.565 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -114.14 84.11 1.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.644 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' SER . 4.9 tm-20 -38.36 128.09 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.752 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.59 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -160.76 146.02 14.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.483 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -42.21 -42.01 2.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.898 0.38 . . . . 0.0 110.18 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.671 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 2.2 t30 -81.85 -48.56 11.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.109 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -108.25 103.93 13.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.106 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -98.36 156.18 16.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.634 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m -133.57 120.82 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.022 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 19' ' ' CYS . 25.9 p -113.79 149.72 34.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.988 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.09 34.6 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.918 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -124.39 -153.45 0.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.306 179.715 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.8 m-20 -110.3 147.4 33.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.426 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' ASP . 25.7 ptt-85 37.04 30.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.576 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.4 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.636 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.878 0.37 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -153.89 179.95 8.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.422 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.46 ' OH ' ' NH1' ' A' ' 54' ' ' ARG . 38.4 m-85 -86.41 90.69 8.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.629 ' OE1' ' SG ' ' A' ' 37' ' ' CYS . 2.2 tt0 -95.98 -34.8 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.03 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.73 32.08 4.42 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.883 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.27 -7.54 81.34 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.899 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -135.02 119.92 18.51 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.85 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -40.88 91.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.11 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.899 HG13 ' O ' ' A' ' 8' ' ' LYS . 19.8 m -108.73 143.23 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.6 m -67.38 93.03 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.525 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 67.7 m -40.6 160.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.347 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.419 ' HB2' ' SD ' ' A' ' 16' ' ' MET . 30.1 m80 -43.14 166.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -68.62 -22.6 64.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.538 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.441 ' O ' ' OG ' ' A' ' 39' ' ' SER . 12.4 t70 -81.02 -46.5 14.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.37 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.419 ' SD ' ' HB2' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -63.65 116.22 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.353 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -118.03 6.57 12.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.773 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -137.88 132.98 33.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.712 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.7 m -103.14 148.05 26.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.683 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 36.6 p90 -142.57 150.9 40.98 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.747 -0.781 . . . . 0.0 111.713 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -115.39 104.14 11.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.873 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -75.35 137.87 41.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.836 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -131.11 5.07 4.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.34 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' THR . . . . . . . . 0 CA--C 1.523 0.559 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.965 0.412 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -76.25 140.76 41.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.674 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.683 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . 177.49 -176.49 48.07 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.629 ' SG ' ' OE1' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -106.28 167.01 10.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 0.0 110.485 179.795 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.17 128.68 0.88 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.659 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -63.79 -33.88 76.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.632 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.8 m -121.47 48.48 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.668 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 43.0 t -49.33 130.46 19.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.446 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.3 OUTLIER -90.38 90.57 8.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -47.5 119.57 2.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.5 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 42' ' ' SER . 0.2 OUTLIER -161.29 150.58 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.707 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -43.99 -37.61 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.634 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.566 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 22.8 t-20 -77.34 -37.43 52.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -128.83 108.73 10.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.317 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -98.19 133.75 42.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.534 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 m -103.0 131.78 49.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -114.98 -177.79 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.132 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 p -149.53 24.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.523 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 144.01 51.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.624 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.616 ' O ' ' CB ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -65.59 119.99 12.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.359 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.616 ' CB ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER 90.4 20.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.425 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.738 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.667 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.161 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.667 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 9.6 m -169.19 -173.78 1.83 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.832 0.349 . . . . 0.0 110.996 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.667 ' CE1' HG23 ' A' ' 9' ' ' VAL . 45.1 m-85 -87.23 93.69 9.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.682 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -89.54 -46.41 8.69 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.727 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -122.22 51.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.468 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.5 -9.05 16.25 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -128.94 152.2 48.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.504 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.667 HG23 ' CE1' ' A' ' 4' ' ' TYR . 47.3 t -71.31 104.28 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.709 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 m -130.75 144.32 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.0 m -68.09 113.19 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.577 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 m -64.61 -176.98 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.413 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.43 ' ND1' ' OD2' ' A' ' 15' ' ' ASP . 2.4 t-80 -67.26 161.2 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.54 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -61.51 -30.75 70.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.562 ' O ' ' OG ' ' A' ' 39' ' ' SER . 34.2 m-20 -62.76 -48.59 78.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -73.07 128.98 37.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.723 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 21.0 mtpt -128.11 2.97 5.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.491 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 17' ' ' LYS . 19.8 m-85 -137.52 144.54 42.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.954 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 m -99.49 134.87 41.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.49 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 28.8 p90 -118.24 147.52 43.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.337 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -121.3 85.4 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.003 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -83.07 127.53 33.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.526 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 p -118.27 -4.59 10.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.679 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 34' ' ' LEU . 10.8 mp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.788 0.328 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -89.81 139.08 30.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.386 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.49 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -176.04 -166.41 33.36 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.74 162.91 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.014 0.435 . . . . 0.0 110.957 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 t -169.94 148.65 3.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.347 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.562 ' OG ' ' O ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -79.22 -50.72 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.768 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.43 45.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.749 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 25.8 t -46.6 118.72 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.4 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.07 90.22 4.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.624 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -57.83 135.21 56.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.512 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.65 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -160.67 -162.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.569 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.31 -29.26 26.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.468 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.84 -23.2 13.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.134 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.65 ' O ' ' N ' ' A' ' 44' ' ' THR . 6.2 t30 -128.49 106.77 9.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.948 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.48 ' C ' ' SG ' ' A' ' 49' ' ' CYS . 35.8 mtmt -100.92 -175.27 2.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.36 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.48 ' SG ' ' C ' ' A' ' 48' ' ' LYS . 4.2 m -151.09 126.84 10.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.712 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.86 -177.14 3.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.988 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.8 p -166.44 25.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.294 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.533 ' O ' ' O ' ' A' ' 53' ' ' ASP . 7.5 m -110.75 26.62 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.685 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.681 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.2 m-20 54.57 153.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.132 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.552 ' C ' ' O ' ' A' ' 53' ' ' ASP . 3.9 ptm180 27.71 34.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.089 0.471 . . . . 0.0 110.119 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.681 ' N ' ' O ' ' A' ' 53' ' ' ASP . 35.1 t . . . . . 0 C--N 1.332 -0.166 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.585 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.426 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 4.7 pttt . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 121.001 0.429 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -158.99 -174.21 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.953 179.113 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.556 ' CZ ' HG22 ' A' ' 9' ' ' VAL . 40.5 m-85 -100.92 94.68 6.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.009 0.433 . . . . 0.0 110.687 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.584 ' HB2' HG21 ' A' ' 10' ' ' VAL . 56.3 tt0 -90.52 -52.71 4.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.61 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -126.84 40.49 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.05 -31.96 3.61 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -95.62 110.8 22.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.35 . . . . 0.0 110.6 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.556 HG22 ' CZ ' ' A' ' 4' ' ' TYR . 57.9 t -38.02 94.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.459 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.584 HG21 ' HB2' ' A' ' 5' ' ' GLN . 17.7 m -77.59 141.26 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.095 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' CYS . 4.1 t -93.42 54.17 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.771 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.465 ' SG ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -40.35 128.35 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.148 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.622 ' C ' ' H ' ' A' ' 15' ' ' ASP . 1.8 t-80 -163.44 -166.45 1.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.764 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.451 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 6.5 tpm_? 62.45 -13.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.768 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.622 ' H ' ' C ' ' A' ' 13' ' ' HIS . 19.0 t70 -166.58 -54.27 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.734 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.25 126.79 29.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -127.7 -8.16 5.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.232 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -129.82 137.91 50.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.823 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.5 m -102.2 139.97 37.11 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.634 ' CE1' ' N ' ' A' ' 36' ' ' GLY . 23.3 p90 -125.31 149.2 48.29 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.793 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.93 85.53 2.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.164 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 16.5 t-20 -63.55 127.98 33.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.797 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.61 -20.25 13.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.365 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.649 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.635 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.933 0.397 . . . . 0.0 110.261 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -98.44 139.16 34.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.428 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.634 ' N ' ' CE1' ' A' ' 20' ' ' TYR . . . -165.67 -163.11 18.42 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.56 165.53 14.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.061 0.457 . . . . 0.0 110.808 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -173.24 164.62 4.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.446 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.495 ' OG ' ' OD2' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -87.67 -43.51 11.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.393 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.8 t -117.74 72.31 0.85 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.403 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 42.9 t -66.17 144.34 56.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.477 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.97 86.69 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.652 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' C ' ' OG1' ' A' ' 44' ' ' THR . 33.4 tt0 -49.77 142.24 8.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.698 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.606 ' O ' ' N ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -177.46 139.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.521 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 44' ' ' THR . 1.6 mm-40 -37.11 -23.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.742 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.649 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 58.8 t-20 -91.91 -39.14 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.507 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' A' ' 44' ' ' THR . 16.9 t-20 -130.83 117.9 20.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.562 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.51 166.74 11.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 m -137.97 124.09 20.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.03 -165.23 1.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.003 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.577 ' O ' ' OG ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -158.1 23.33 0.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.971 0.415 . . . . 0.0 110.568 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.736 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -129.27 -162.71 1.22 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.142 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.736 ' H ' HG22 ' A' ' 52' ' ' THR . 0.0 OUTLIER -93.57 144.32 25.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.419 179.781 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 53' ' ' ASP . 11.7 ptt180 34.41 46.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.506 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.373 179.815 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.445 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.867 0.365 . . . . 0.0 110.814 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.445 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -154.48 -176.38 5.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.369 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.401 ' CE1' HG22 ' A' ' 9' ' ' VAL . 39.0 m-85 -101.0 95.42 6.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.002 0.43 . . . . 0.0 110.458 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.456 ' OE1' ' SG ' ' A' ' 37' ' ' CYS . 16.6 tt0 -97.96 -31.11 12.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.319 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -136.37 44.22 2.42 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.05 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.74 -38.33 2.81 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -92.28 -178.53 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.401 HG22 ' CE1' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -98.41 103.74 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.931 0.395 . . . . 0.0 110.816 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.427 HG21 ' CB ' ' A' ' 5' ' ' GLN . 24.4 m -90.3 151.32 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.275 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.18 66.17 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.749 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 m -44.32 130.34 6.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.122 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.536 ' C ' ' H ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -155.62 -155.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.967 -179.434 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.485 ' C ' ' CG ' ' A' ' 15' ' ' ASP . 18.0 ttt180 63.02 -5.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.606 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.601 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER 164.98 -42.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.517 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.3 mtt -65.61 105.72 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.554 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 53.5 mttt -116.02 12.28 15.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.701 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 17' ' ' LYS . 67.6 m-85 -147.07 139.59 24.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.405 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 7.5 m -100.52 142.77 31.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.637 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 5.7 p90 -128.35 146.09 50.87 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.689 -179.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.685 ' CG ' ' OE1' ' A' ' 35' ' ' GLN . 4.2 t60 -117.25 91.62 3.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.627 179.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 15.4 t30 -76.91 119.85 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.375 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 24' ' ' GLY . 24.7 p -99.41 -16.81 18.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.693 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.498 ' N ' ' OD1' ' A' ' 22' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.889 0.375 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.685 ' OE1' ' CG ' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -98.23 142.57 29.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.472 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.637 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -174.67 163.72 34.29 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.456 ' SG ' ' OE1' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -96.54 168.98 10.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.884 0.373 . . . . 0.0 110.739 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -168.71 160.14 10.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.495 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.5 t -96.44 -21.01 18.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' CYS . 0.9 OUTLIER -135.31 36.47 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.745 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 48' ' ' LYS . 36.8 t -36.56 129.46 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.63 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.3 p -86.95 85.86 7.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.691 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.562 ' O ' HG23 ' A' ' 44' ' ' THR . 20.4 tt0 -53.56 125.55 18.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.762 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.627 ' N ' ' O ' ' A' ' 47' ' ' ASN . 1.2 p -158.51 -176.24 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.445 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.31 -35.08 73.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 24' ' ' GLY . 3.8 t-20 -86.88 -46.19 10.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.942 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.627 ' O ' ' N ' ' A' ' 44' ' ' THR . 2.7 m120 -116.19 116.3 27.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.261 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.49 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 2.0 mtpm? -97.43 -177.25 3.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 8.9 m -152.7 130.81 11.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.624 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 p -142.66 153.4 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.62 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.529 ' O ' ' OG ' ' A' ' 51' ' ' SER . 4.0 t -139.78 42.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.56 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.28 24.27 12.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.581 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.56 ' O ' ' O ' ' A' ' 52' ' ' THR . 1.1 m-20 53.88 127.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 58.8 29.3 18.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 19' ' ' CYS . 29.9 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.605 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.46 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.577 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -155.08 179.01 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.409 179.624 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.908 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 37.9 m-85 -82.07 89.0 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.732 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.44 ' HG3' ' SG ' ' A' ' 37' ' ' CYS . 2.6 tt0 -89.35 -40.31 12.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.713 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -126.13 48.33 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.65 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.32 -6.63 21.54 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.32 129.46 39.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 0.0 110.427 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.908 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -55.27 99.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.514 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.54 162.76 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 m -75.52 97.17 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.577 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 63.1 m -49.71 152.0 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.262 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.566 ' O ' ' O ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -35.71 163.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.608 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -36.83 84.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.69 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -39.38 68.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.35 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.456 ' SD ' ' HB2' ' A' ' 13' ' ' HIS . 24.1 mtt -68.3 106.86 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.394 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -120.27 14.11 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 14.3 m-85 -142.0 130.58 22.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.313 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 m -100.46 141.15 33.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.636 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.641 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 43.9 p90 -122.86 145.79 48.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.231 0.538 . . . . 0.0 111.686 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.651 ' N ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -113.81 85.6 2.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.837 179.307 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.514 ' C ' ' OD1' ' A' ' 22' ' ' ASN . 10.3 t-20 -81.36 130.76 35.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.027 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.28 -19.86 12.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.209 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.56 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.937 0.398 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.57 139.41 30.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.814 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.641 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -172.46 -174.68 39.94 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.44 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -116.8 166.53 12.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.024 0.44 . . . . 0.0 110.86 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.44 166.35 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.82 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -45.95 5.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.124 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.592 ' O ' ' O ' ' A' ' 41' ' ' CYS . 0.3 OUTLIER -109.89 52.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.065 179.529 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.737 ' SG ' ' N ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -37.28 170.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.142 -179.652 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.737 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 31.6 t -143.42 58.48 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.17 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.516 ' C ' ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -28.94 145.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.763 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.634 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -167.16 -171.91 1.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.638 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.34 -32.74 37.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.56 ' ND2' ' O ' ' A' ' 24' ' ' GLY . 2.9 t-20 -97.81 -18.26 18.86 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.634 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -131.5 110.01 10.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.077 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.485 ' HB2' ' ND1' ' A' ' 21' ' ' HIS . 2.2 mptp? -95.76 171.99 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.68 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.2 m -143.97 139.42 29.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.965 0.412 . . . . 0.0 111.383 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 t -135.88 156.63 48.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.439 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.548 ' O ' ' OG ' ' A' ' 51' ' ' SER . 1.5 t -122.66 24.1 9.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.504 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.93 161.46 18.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.566 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.41 128.78 33.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.417 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 64.59 35.47 9.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.005 0.431 . . . . 0.0 110.123 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.468 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.623 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.794 0.33 . . . . 0.0 110.539 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.623 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -173.42 176.79 2.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.62 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.634 ' CE1' HG23 ' A' ' 9' ' ' VAL . 30.6 m-85 -79.08 86.6 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.056 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.711 ' NE2' ' SG ' ' A' ' 12' ' ' CYS . 2.3 tt0 -89.67 -44.25 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.067 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.62 37.73 4.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.784 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.18 -6.28 83.74 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.715 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -137.39 125.28 22.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.684 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.634 HG23 ' CE1' ' A' ' 4' ' ' TYR . 16.8 t -44.31 98.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.243 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 8' ' ' LYS . 15.9 m -121.38 151.54 24.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.4 m -78.99 107.6 11.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.395 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.711 ' SG ' ' NE2' ' A' ' 5' ' ' GLN . 1.2 m -58.74 -166.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.333 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -53.04 174.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.115 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -88.48 3.42 50.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.626 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -112.1 -23.59 10.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.749 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.522 ' SD ' ' C ' ' A' ' 37' ' ' CYS . 55.3 mtt -86.42 123.82 32.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 0.0 110.814 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -117.28 -7.53 11.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.719 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -115.67 135.68 53.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.004 0.43 . . . . 0.0 110.686 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.7 m -105.63 148.91 26.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.353 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.686 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 21.9 p90 -143.11 159.92 41.38 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.607 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -125.66 87.82 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.945 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.429 ' OD1' ' CG ' ' A' ' 47' ' ' ASN . 1.8 m120 -65.72 137.83 57.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.72 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 p -111.32 -21.53 11.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.54 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.494 ' C ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 121.001 0.429 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.439 ' CD ' ' O ' ' A' ' 4' ' ' TYR . 3.3 pt20 -57.87 135.51 56.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.908 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.686 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -168.42 -179.99 41.09 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.546 -1.021 . . . . 0.0 110.546 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.522 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -108.91 168.03 9.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.019 0.438 . . . . 0.0 110.891 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.427 ' HA ' ' SD ' ' A' ' 16' ' ' MET . 0.3 OUTLIER -159.02 162.38 36.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.762 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.05 -28.58 17.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.423 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.5 ' O ' ' C ' ' A' ' 41' ' ' CYS . 1.3 m -132.35 33.45 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.376 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 40' ' ' SER . 16.0 t -30.64 125.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.669 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' ' C ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -93.69 79.62 4.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.536 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.574 ' OE2' ' O ' ' A' ' 49' ' ' CYS . 10.0 mm-40 -32.44 140.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -161.35 174.23 13.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.543 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.504 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 6.8 tm-20 -74.36 -26.13 59.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.479 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.494 ' OD1' ' C ' ' A' ' 24' ' ' GLY . 0.4 OUTLIER -97.84 -12.09 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.957 179.717 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.508 ' C ' ' OD1' ' A' ' 47' ' ' ASN . 9.3 t-20 -144.83 113.81 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.169 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -105.79 138.36 42.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.756 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.574 ' O ' ' OE2' ' A' ' 43' ' ' GLU . 2.5 m -113.43 127.82 56.24 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.1 t -106.68 170.81 7.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.189 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.571 ' O ' ' OG ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -128.63 22.81 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 110.586 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.481 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -123.7 -169.52 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.446 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.4 m-20 -90.7 153.58 20.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.512 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER 35.2 25.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.185 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.644 ' N ' ' O ' ' A' ' 53' ' ' ASP . 24.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.836 0.351 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -173.07 171.99 4.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.681 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.814 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 39.3 m-85 -79.12 89.92 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.747 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -96.89 -27.97 14.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.492 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -138.91 44.57 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.519 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.6 2.88 70.59 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.827 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -143.95 126.6 16.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.556 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.814 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 3.5 m -51.85 95.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.377 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.827 HG13 ' O ' ' A' ' 8' ' ' LYS . 31.6 m -112.77 153.88 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.653 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.609 ' O ' HG22 ' A' ' 11' ' ' THR . 6.2 m -75.67 86.29 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.962 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.501 ' O ' ' O ' ' A' ' 11' ' ' THR . 24.3 m -42.91 170.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.063 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -61.77 166.38 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.919 0.39 . . . . 0.0 111.052 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -29.13 70.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.196 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -40.45 97.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.364 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.0 mtt -74.82 113.57 12.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.817 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' C ' ' CG ' ' A' ' 18' ' ' PHE . 4.2 mttt -120.57 17.8 12.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.997 0.427 . . . . 0.0 110.011 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.403 ' CG ' ' C ' ' A' ' 17' ' ' LYS . 43.9 m-85 -152.77 134.44 14.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.268 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.1 t -99.43 152.99 19.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.66 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 38.5 p90 -141.37 145.73 35.76 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.9 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -114.49 94.03 4.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.892 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -90.09 130.99 36.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.988 0.423 . . . . 0.0 111.151 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.33 -31.17 13.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.283 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.646 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 CA--C 1.522 -0.106 0 CA-C-O 120.899 0.381 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.673 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -70.36 140.72 52.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.84 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.66 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . -172.2 176.54 45.2 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 164.5 11.88 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.705 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 t -167.81 141.26 3.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.687 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.401 ' HA ' ' H ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -75.94 -10.73 59.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.469 179.855 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.549 ' O ' ' OG ' ' A' ' 40' ' ' SER . 1.6 t -152.12 56.46 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 42' ' ' SER . 1.9 t -50.41 152.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.775 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.532 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -102.58 88.03 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.392 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.66 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 31.1 tt0 -59.74 121.89 12.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.685 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -151.25 -146.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.514 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -93.61 -39.81 10.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.737 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.646 ' ND2' ' N ' ' A' ' 24' ' ' GLY . 11.2 t30 -92.05 -30.09 16.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.302 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 42' ' ' SER . 4.6 t30 -121.54 112.35 18.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.513 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -103.8 158.08 16.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.699 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.66 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 9.8 m -117.67 137.54 52.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.11 -173.23 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.315 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 m -156.45 26.67 0.34 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.256 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.569 HG22 ' N ' ' A' ' 53' ' ' ASP . 58.0 m -135.9 163.53 30.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.586 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.569 ' N ' HG22 ' A' ' 52' ' ' THR . 0.0 OUTLIER -75.65 135.56 40.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.33 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 66.07 34.64 6.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.475 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.337 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.938 0.399 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 t -166.63 -163.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.276 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.442 ' CZ ' HG23 ' A' ' 9' ' ' VAL . 25.3 m-85 -90.66 91.77 8.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.09 0.472 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.406 ' HG3' ' SG ' ' A' ' 12' ' ' CYS . 31.7 tt0 -90.67 -41.12 11.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.795 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -132.41 43.96 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.661 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.59 1.8 72.77 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.582 ' O ' HG22 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -136.93 121.0 17.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.784 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.442 HG23 ' CZ ' ' A' ' 4' ' ' TYR . 93.6 t -44.06 100.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.32 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 8' ' ' LYS . 16.7 m -136.04 157.87 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.819 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.0 m -76.33 108.85 9.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.606 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.406 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 0.5 OUTLIER -58.55 -163.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.313 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.676 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.8 t-80 -132.15 -147.75 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.713 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 37.45 20.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.272 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.676 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER 55.87 59.55 3.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.304 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.702 ' SD ' ' N ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -64.57 140.6 58.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.421 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.565 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 1.9 tmtt? -120.82 -2.22 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.655 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.702 ' N ' ' SD ' ' A' ' 16' ' ' MET . 54.9 m-85 -149.75 141.05 23.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.975 0.417 . . . . 0.0 111.022 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.475 ' HB3' ' SG ' ' A' ' 50' ' ' CYS . 24.3 t -101.67 153.09 20.08 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.67 ' CE2' ' C ' ' A' ' 36' ' ' GLY . 52.5 p90 -140.6 135.52 31.85 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.936 -0.706 . . . . 0.0 111.764 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -103.11 86.42 2.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.849 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -64.94 129.55 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.0 t -138.03 5.25 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.62 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 23' ' ' THR . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.836 0.351 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -72.95 137.82 45.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.62 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.67 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -165.25 -179.45 39.11 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.39 159.91 22.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.772 0.32 . . . . 0.0 110.592 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.515 ' C ' ' H ' ' A' ' 40' ' ' SER . 1.9 t -166.81 146.23 5.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.716 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.507 ' O ' ' OG ' ' A' ' 39' ' ' SER . 1.3 t -73.04 18.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.342 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.515 ' H ' ' C ' ' A' ' 38' ' ' SER . 0.3 OUTLIER -176.64 87.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.488 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.689 ' SG ' ' N ' ' A' ' 42' ' ' SER . 23.4 t -84.85 168.97 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.694 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.689 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 42.1 t -121.84 95.43 4.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.479 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.601 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 0.4 OUTLIER -55.97 95.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.425 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 47' ' ' ASN . 1.0 OUTLIER -147.37 141.93 26.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.709 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -42.48 -24.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.971 0.415 . . . . 0.0 110.208 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -80.63 -42.94 21.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.179 179.587 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.537 ' ND2' ' CD1' ' A' ' 20' ' ' TYR . 4.0 t-20 -136.51 107.86 6.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.392 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -76.79 164.17 26.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.605 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 31.4 m -130.64 135.8 48.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.892 0.377 . . . . 0.0 111.068 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.701 ' SG ' ' N ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -118.22 177.97 4.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.558 179.229 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.701 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 2.9 t -150.02 31.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.555 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 1.8 m -144.47 148.91 35.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.403 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.01 129.12 38.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.478 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 72.17 30.04 2.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.673 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.555 ' SG ' ' O ' ' A' ' 52' ' ' THR . 2.4 p . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.519 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.572 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 3.1 pttt . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.958 0.409 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.572 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -168.54 -168.32 0.89 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.087 179.716 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.601 ' CE1' HG23 ' A' ' 9' ' ' VAL . 49.5 m-85 -96.88 93.43 6.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.126 0.489 . . . . 0.0 110.551 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.405 ' O ' ' CD ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -96.18 -24.82 16.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.931 -179.715 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.411 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.0 t-80 -142.09 47.79 1.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.603 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.54 -29.57 2.28 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 6' ' ' HIS . 1.5 mttt -108.78 163.93 12.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 0.0 110.614 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.601 HG23 ' CE1' ' A' ' 4' ' ' TYR . 68.0 t -78.38 101.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.65 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.51 155.94 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.339 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.553 ' O ' HG22 ' A' ' 11' ' ' THR . 15.9 m -95.52 88.35 5.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.387 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.6 m -56.59 164.83 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.589 ' C ' ' H ' ' A' ' 15' ' ' ASP . 1.4 t-80 -174.46 -147.31 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.861 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.56 ' O ' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER 61.55 -6.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.342 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.589 ' H ' ' C ' ' A' ' 13' ' ' HIS . 1.5 m-20 156.56 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.454 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.0 mtt -59.38 113.2 2.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.647 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -119.46 -3.91 10.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.639 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -133.02 141.87 48.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 50' ' ' CYS . 14.1 m -100.26 130.95 46.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.651 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 8.7 p90 -109.85 153.97 23.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.116 0.484 . . . . 0.0 111.321 -179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -120.51 81.66 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.933 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 30.0 t-20 -78.61 125.53 29.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.297 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.516 ' O ' ' O ' ' A' ' 24' ' ' GLY . 2.1 p -100.03 -20.59 15.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.202 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.794 ' H ' HD21 ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.526 0.755 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.865 0.364 . . . . 0.0 110.241 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -35.95 129.49 0.65 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.718 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.487 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -165.28 -175.12 35.62 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.19 163.07 13.1 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.822 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 t -173.77 153.25 2.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.447 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.74 -85.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.571 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' CYS . 2.7 m -74.41 45.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.434 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' SER . 49.9 t -40.02 145.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.255 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.577 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.7 OUTLIER -107.37 81.31 1.51 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.811 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.753 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -46.77 115.96 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.335 179.642 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.625 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -146.73 -173.79 4.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.554 -179.834 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.26 -44.35 72.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.364 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.794 HD21 ' H ' ' A' ' 24' ' ' GLY . 6.8 t30 -88.39 -36.3 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.538 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.625 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.2 t-20 -119.55 101.7 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.615 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -86.25 -171.61 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.884 -179.787 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.753 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 45.1 m -154.79 126.79 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.217 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' CYS . 17.0 p -145.49 174.51 11.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 0.0 110.865 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.09 25.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.331 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.86 22.77 9.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.702 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER 66.26 144.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.704 179.809 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER 34.22 25.31 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.355 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.669 ' N ' ' O ' ' A' ' 53' ' ' ASP . 11.4 p . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.697 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.593 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.778 0.323 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.593 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 72.4 m -156.51 -174.1 4.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 110.805 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.474 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 58.2 m-85 -79.96 91.28 5.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.253 0.549 . . . . 0.0 110.406 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.4 ' HB3' ' CG2' ' A' ' 10' ' ' VAL . 1.6 tt0 -102.64 -16.06 16.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.084 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -150.62 35.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.756 0.312 . . . . 0.0 110.594 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.99 -26.22 13.83 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.68 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -122.19 138.43 54.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.738 0.304 . . . . 0.0 110.496 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.474 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -52.77 98.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.518 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 8' ' ' LYS . 35.5 m -118.28 152.35 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.6 m -79.0 119.05 21.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.502 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.7 m -65.98 -149.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.608 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -78.41 -175.96 4.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -91.99 9.24 33.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.597 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -115.78 -41.16 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.614 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.8 mpt? -60.2 135.58 57.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -132.85 -3.57 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.808 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -125.98 134.5 51.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.603 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.625 ' O ' ' N ' ' A' ' 50' ' ' CYS . 78.1 m -101.66 140.21 36.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.776 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.52 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 33.6 p90 -128.6 146.76 50.76 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.224 -0.591 . . . . 0.0 111.539 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -114.47 90.15 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.805 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -83.42 125.28 31.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.401 . . . . 0.0 111.052 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.18 -17.72 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.257 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.523 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.723 0.297 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -66.29 132.57 48.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.298 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.52 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -167.27 -154.28 8.43 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.61 166.53 15.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.04 0.447 . . . . 0.0 110.951 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.8 t -158.66 170.68 21.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.459 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.19 -17.98 17.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.406 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 41' ' ' CYS . 61.2 m -145.49 44.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.43 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 48' ' ' LYS . 43.5 t -33.72 139.89 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.679 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.545 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.6 OUTLIER -107.04 76.26 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.511 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.773 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 1.4 tt0 -37.18 126.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.736 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.674 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -159.05 174.01 15.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.448 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.23 -38.21 88.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.591 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 24' ' ' GLY . 4.0 t-20 -89.67 -35.61 15.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.538 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.674 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.2 t30 -126.04 106.94 9.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.458 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 8.2 mtpp -87.73 -169.11 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.941 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.773 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 64.4 m -147.86 137.24 22.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.51 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.625 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -118.67 -167.58 1.4 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.524 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.477 ' O ' HG22 ' A' ' 52' ' ' THR . 16.7 m -131.28 32.29 4.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.523 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER 77.69 164.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.163 179.53 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.661 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER 81.33 63.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.572 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' ASP . 1.0 OUTLIER 37.23 21.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.345 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.661 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.729 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.573 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.821 0.343 . . . . 0.0 110.726 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.573 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -165.55 -172.95 2.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.575 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -90.99 94.12 9.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.022 0.439 . . . . 0.0 110.214 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -90.86 -41.2 11.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.185 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -127.91 47.46 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.991 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.04 -1.47 59.36 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.422 ' O ' HG13 ' A' ' 10' ' ' VAL . 3.3 mttt -133.48 158.38 43.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.778 0.323 . . . . 0.0 110.335 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.3 t -74.78 103.82 2.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.373 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -111.68 146.4 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.817 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.769 ' O ' HG23 ' A' ' 11' ' ' THR . 10.2 t -97.35 98.62 10.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.407 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -174.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -57.83 170.2 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.696 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -21.15 63.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.605 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -75.28 -63.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.571 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.3 mtt -45.71 116.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.721 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -121.92 1.01 9.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.315 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -128.29 136.26 50.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.8 m -101.79 132.79 47.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.65 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.667 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 31.9 p90 -117.22 150.62 38.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.352 0.596 . . . . 0.0 111.826 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -125.4 106.1 9.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.793 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.563 ' OD1' ' OD1' ' A' ' 46' ' ' ASN . 0.7 OUTLIER -84.2 131.83 34.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.906 0.384 . . . . 0.0 110.739 -179.524 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p -107.73 -16.64 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.334 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.465 ' HA2' HD21 ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.526 0.738 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.81 0.338 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -100.58 135.2 42.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.493 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.667 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . -168.87 -171.64 34.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.08 159.82 15.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.877 0.37 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 t -170.83 127.42 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -73.5 160.44 31.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.33 179.624 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' SER . 43.9 t 37.98 47.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.185 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.6 t -66.83 142.99 57.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.782 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.644 ' O ' HG23 ' A' ' 44' ' ' THR . 0.6 OUTLIER -106.39 87.25 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.553 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -41.5 121.63 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.625 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 42' ' ' SER . 16.6 p -132.74 179.92 5.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.353 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.64 -36.6 65.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.527 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.564 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 19.2 t-20 -88.79 -37.34 15.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.296 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.411 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.2 OUTLIER -122.35 109.05 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.153 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -99.72 156.56 17.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 m -123.17 135.05 54.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.036 0.446 . . . . 0.0 111.138 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.11 172.06 7.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.392 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.9 p -138.0 22.52 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.67 156.8 42.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.331 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -73.84 142.05 46.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.399 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.55 40.13 29.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.528 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.819 0.343 . . . . 0.0 110.363 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -165.65 -162.24 0.56 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.402 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.541 ' HB3' HE22 ' A' ' 35' ' ' GLN . 46.2 m-85 -92.96 94.76 9.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.142 0.496 . . . . 0.0 110.472 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.425 HE21 ' HA ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -105.77 -24.37 12.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.761 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.406 ' NE2' ' OE1' ' A' ' 5' ' ' GLN . 15.7 m-70 -134.0 35.65 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.462 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.28 -13.66 32.24 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.407 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -129.09 143.52 50.89 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 179.71 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.486 ' H ' HG23 ' A' ' 9' ' ' VAL . 2.2 t -56.09 101.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.512 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 8' ' ' LYS . 35.6 m -131.32 157.78 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.37 106.23 10.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.371 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' HE21 ' A' ' 5' ' ' GLN . 0.0 OUTLIER -59.57 -159.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.846 -179.742 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -43.05 154.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.699 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.2 mtt85 -82.66 41.83 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.439 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -158.47 -3.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.073 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.618 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -74.36 138.02 43.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.606 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.652 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 4.0 mtpm? -125.33 6.62 7.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.652 ' CD1' ' C ' ' A' ' 17' ' ' LYS . 71.7 m-85 -156.83 138.6 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.788 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.461 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 56.9 m -103.21 140.77 36.93 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.609 ' CD1' ' OD1' ' A' ' 47' ' ' ASN . 10.8 p90 -136.13 148.54 48.27 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.574 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -111.37 99.22 8.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.16 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.436 ' OD1' ' OD1' ' A' ' 46' ' ' ASN . 14.7 t30 -80.06 135.64 36.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.786 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.404 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 23.2 p -109.32 -22.11 12.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.299 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.848 0.356 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.541 HE22 ' HB3' ' A' ' 4' ' ' TYR . 2.9 pt20 -73.41 126.08 29.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.524 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.482 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -157.36 167.08 33.91 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -111.25 170.97 7.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.975 0.416 . . . . 0.0 110.769 -179.832 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.95 171.33 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.753 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 t -84.07 -42.57 15.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.547 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.0 t -120.82 85.31 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.4 t -86.0 136.74 33.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.39 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.79 94.09 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 6.2 mp0 -43.81 138.26 2.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.533 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.629 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -168.11 145.56 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.915 0.388 . . . . 0.0 110.655 179.777 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -44.14 -20.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.526 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 32.2 t-20 -95.81 -35.98 11.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.198 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.629 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -133.37 120.64 21.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.078 179.717 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -111.23 134.94 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.636 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.459 ' SG ' ' HG3' ' A' ' 43' ' ' GLU . 1.8 m -103.42 140.91 36.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.969 0.414 . . . . 0.0 111.042 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 p -141.13 130.66 23.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.512 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.18 40.5 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.661 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.482 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.63 22.55 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.524 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.693 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER 56.2 152.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.651 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' A' ' 53' ' ' ASP . 7.1 ptp180 30.48 29.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.818 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.693 ' N ' ' O ' ' A' ' 53' ' ' ASP . 29.9 p . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.014 0.435 . . . . 0.0 110.418 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.669 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 120.756 0.312 . . . . 0.0 110.237 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.669 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 36.2 m -158.2 -161.8 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.057 0.455 . . . . 0.0 111.166 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -88.4 91.0 8.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.517 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.443 ' HG3' ' SG ' ' A' ' 37' ' ' CYS . 3.3 tt0 -91.74 -38.06 12.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.69 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -130.63 46.02 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.484 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.1 0.81 61.73 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' O ' HG22 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -136.18 143.77 44.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.31 . . . . 0.0 110.508 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.406 HG21 ' NE ' ' A' ' 54' ' ' ARG . 51.9 t -63.54 100.16 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.649 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 8' ' ' LYS . 21.5 m -137.87 158.07 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.2 m -73.42 126.62 30.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.553 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.7 m -73.54 -174.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.506 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.444 ' CB ' ' SD ' ' A' ' 16' ' ' MET . 0.7 OUTLIER -67.07 163.77 19.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.576 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -65.13 -31.56 72.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.01 -36.99 80.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.444 ' SD ' ' CB ' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -72.14 130.88 41.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.823 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -126.76 -8.25 6.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.649 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -129.39 137.86 51.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.7 m -98.03 148.83 23.11 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.621 ' CE2' ' C ' ' A' ' 36' ' ' GLY . 27.7 p90 -138.1 148.93 45.48 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.479 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.516 ' CE1' ' NE2' ' A' ' 35' ' ' GLN . 9.7 t-80 -126.03 120.1 29.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.463 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -108.17 128.72 54.95 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.282 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -110.12 -13.65 14.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.344 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.525 0.717 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.577 ' N ' ' OE1' ' A' ' 35' ' ' GLN . 4.5 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.865 0.364 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.577 ' OE1' ' N ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -85.14 138.07 32.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.84 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.621 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -159.74 -161.09 10.98 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.443 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -120.53 164.62 16.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.499 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.6 t -166.18 150.66 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -34.06 43.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.399 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.483 ' O ' ' OG ' ' A' ' 40' ' ' SER . 10.0 p -128.53 62.89 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 48.6 t -62.09 151.46 35.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.685 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.03 89.68 3.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.579 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -51.88 108.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.51 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 p -134.16 -171.35 2.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.507 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -80.57 -34.48 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.34 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 5.3 t30 -85.05 -41.25 15.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.133 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.542 ' C ' ' OD1' ' A' ' 47' ' ' ASN . 2.4 t30 -121.02 114.85 22.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.484 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.65 163.75 13.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.746 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 m -139.35 124.27 18.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.41 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 p -122.61 -170.37 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.501 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.23 27.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.965 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.541 HG22 ' N ' ' A' ' 53' ' ' ASP . 99.3 m -128.39 161.36 29.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 110.684 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.541 ' N ' HG22 ' A' ' 52' ' ' THR . 3.8 t70 -60.09 136.7 58.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.641 -179.129 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.406 ' NE ' HG21 ' A' ' 9' ' ' VAL . 13.2 ttm180 43.81 44.51 5.72 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.343 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 52' ' ' THR . 27.1 p . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.697 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.545 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -170.91 165.15 7.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.582 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.545 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 7.5 m -165.75 -167.07 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.207 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.68 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 32.5 m-85 -92.27 91.1 7.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.08 0.467 . . . . 0.0 110.31 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -94.78 -38.66 10.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.591 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -128.69 41.06 3.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.446 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.61 -3.01 44.91 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.762 ' O ' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -130.9 119.82 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 110.519 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.519 HG23 ' CZ ' ' A' ' 4' ' ' TYR . 94.9 t -43.2 95.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.199 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 8' ' ' LYS . 6.0 m -129.76 160.83 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.951 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 m -80.22 110.89 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.18 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -58.0 -156.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.773 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.576 ' CG ' ' H ' ' A' ' 14' ' ' ARG . 1.4 t-80 -143.51 -145.08 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.576 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 29.8 mtm-85 41.13 21.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.363 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' HIS . 15.9 t0 58.58 60.4 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.624 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -80.41 139.2 36.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.643 -179.687 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' SD ' ' A' ' 16' ' ' MET . 38.4 tttm -127.21 -3.84 6.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.183 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.518 ' N ' ' SD ' ' A' ' 16' ' ' MET . 57.4 m-85 -141.23 139.25 33.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.686 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' CYS . 64.4 m -104.01 138.32 40.72 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.685 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 35.0 p90 -124.71 145.08 49.88 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.465 -179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.419 ' NE2' HD12 ' A' ' 33' ' ' ILE . 1.4 t-160 -114.14 74.76 0.89 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.26 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -69.03 122.49 18.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.694 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 24' ' ' GLY . 67.4 p -111.1 -10.63 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' HA2' HD21 ' A' ' 46' ' ' ASN . . . -60.27 -137.19 0.01 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.522 ' SD ' HD11 ' A' ' 34' ' ' LEU . 1.9 ttt 39.28 93.13 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.758 0.313 . . . . 0.0 110.561 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -80.77 84.48 1.99 Allowed 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.759 2.306 . . . . 0.0 112.178 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.477 ' CE2' ' O ' ' A' ' 28' ' ' ARG . 11.8 t80 -122.57 126.99 48.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.444 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.545 ' O ' ' CB ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -66.91 175.42 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 28' ' ' ARG . 16.9 t-20 84.75 -2.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.626 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.0 mt -153.1 163.02 40.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.737 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -88.93 45.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.679 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 mt 43.52 67.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.48 ' HA ' HD13 ' A' ' 33' ' ' ILE . 6.3 mm -136.37 102.77 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.506 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.522 HD11 ' SD ' ' A' ' 25' ' ' MET . 0.6 OUTLIER -115.36 67.35 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.68 ' NE2' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -79.81 132.44 36.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.543 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.685 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -165.95 164.35 37.39 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.32 163.29 12.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.0 157.18 23.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.757 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t -69.02 -43.45 74.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.27 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -128.76 92.43 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.289 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.48 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 49.7 t -73.8 158.75 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 37.9 t -117.93 83.7 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.279 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.708 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 70.4 tt0 -50.23 111.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 42' ' ' SER . 0.2 OUTLIER -135.92 -167.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.47 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 45' ' ' GLU . 4.4 mm-40 -79.48 -41.12 28.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.397 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.458 HD21 ' HA2' ' A' ' 24' ' ' GLY . 3.7 t-20 -93.14 -30.33 15.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.363 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.605 ' ND2' ' O ' ' A' ' 42' ' ' SER . 2.8 t30 -117.95 98.16 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.505 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.27 176.31 9.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.592 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.708 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 61.9 m -140.22 135.2 32.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.939 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' CYS . 1.2 m -113.55 177.72 4.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.977 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.0 t -152.33 29.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.4 m -143.41 153.24 42.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.452 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' HB2' ' HZ2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -68.69 129.4 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.23 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 70.35 30.67 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.28 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.0 t -76.06 -35.16 59.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.294 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.635 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -91.51 60.01 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.398 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' OXT' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.534 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.614 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -161.52 158.76 26.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.396 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.614 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 78.8 m -157.58 -162.31 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.648 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.568 ' H ' HD22 ' A' ' 56' ' ' ASN . 45.7 m-85 -98.23 92.59 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.82 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.416 ' H ' HG23 ' A' ' 10' ' ' VAL . 31.0 tt0 -84.37 -43.48 14.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.531 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -127.39 48.27 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.247 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.89 -13.4 8.88 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 161.05 20.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.683 0.278 . . . . 0.0 110.406 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.1 t -73.47 104.92 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.672 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.416 HG23 ' H ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -127.9 154.98 39.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.384 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -84.57 101.5 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.524 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.1 m -50.95 149.75 3.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.433 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.01 164.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -68.44 -16.98 64.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.663 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -79.35 -41.96 26.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.5 mtt -69.1 125.86 28.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.652 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 38.3 mttt -122.76 8.9 9.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.385 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 42.2 m-85 -148.77 135.16 19.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.989 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.2 m -99.0 140.95 32.38 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.687 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 19.3 p90 -126.04 148.29 49.35 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.78 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.537 ' C ' ' ND1' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -113.62 95.47 5.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.717 179.583 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -87.97 135.61 33.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.52 -21.64 12.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.022 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . 60.19 -160.24 22.42 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' O ' ' A' ' 26' ' ' PRO . 26.9 mtm -74.09 153.47 88.58 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.7 0.286 . . . . 0.0 110.634 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 27' ' ' PHE . 85.5 Cg_exo -39.87 168.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.853 2.369 . . . . 0.0 112.124 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.518 ' C ' ' O ' ' A' ' 26' ' ' PRO . 27.4 t80 -29.78 112.66 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.439 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -133.74 -29.58 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.731 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.44 -96.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 32' ' ' LEU . 4.2 mt -92.13 -152.1 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.926 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -75.34 29.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.735 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 30' ' ' LEU . 53.3 mt 42.31 72.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.446 ' O ' HG22 ' A' ' 33' ' ' ILE . 4.4 mm -127.2 88.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.542 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.3 mt -111.44 21.74 15.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.445 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -53.64 134.48 41.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.687 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -163.88 178.71 39.21 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.97 160.1 16.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 t -160.73 148.56 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.589 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -10.18 57.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.493 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.59 56.98 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.55 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 43.9 t -71.71 117.48 13.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.454 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 43' ' ' GLU . 1.4 p -90.4 93.72 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 42' ' ' SER . 3.2 mm-40 -34.28 121.63 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.551 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.59 ' N ' ' O ' ' A' ' 47' ' ' ASN . 1.3 p -150.4 151.91 33.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.465 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.49 -33.42 54.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 4.5 t-20 -90.58 -10.56 42.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.223 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 44' ' ' THR . 2.8 t30 -156.24 110.46 2.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.661 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -101.6 160.32 14.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.606 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.438 ' SG ' ' HG2' ' A' ' 43' ' ' GLU . 2.3 m -123.61 140.46 52.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.787 0.327 . . . . 0.0 110.71 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.2 p -141.03 154.31 45.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.562 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.21 33.54 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.377 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.567 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -110.23 22.09 15.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.558 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.666 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER 52.13 156.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.565 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.483 ' C ' ' O ' ' A' ' 53' ' ' ASP . 2.2 ttt180 34.08 25.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.666 ' N ' ' O ' ' A' ' 53' ' ' ASP . 6.2 p -79.87 -40.81 27.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.549 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.568 HD22 ' H ' ' A' ' 4' ' ' TYR . 53.1 p-10 -73.77 59.33 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.68 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.9 tttt . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.51 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.46 ' N ' ' OD2' ' A' ' 53' ' ' ASP . 1.5 mt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.678 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -167.31 158.86 12.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.086 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.678 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 77.3 m -162.34 -169.47 2.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.631 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 41.8 m-85 -89.78 89.54 7.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.167 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -96.79 -24.64 15.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.649 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -138.17 42.54 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.526 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.95 -12.95 9.71 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.762 ' O ' HG22 ' A' ' 10' ' ' VAL . 3.3 mtmm -128.41 139.73 52.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 110.367 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.582 HG23 ' CE1' ' A' ' 4' ' ' TYR . 61.5 t -56.71 100.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 8' ' ' LYS . 2.5 m -131.23 145.15 35.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.815 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.8 m -70.67 118.94 14.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.14 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -158.67 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.749 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.633 ' CG ' ' H ' ' A' ' 14' ' ' ARG . 7.2 t-80 -134.94 -144.53 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.709 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.633 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 29.6 ttt-85 41.28 23.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.296 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.8 OUTLIER 53.97 45.4 27.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.154 -179.792 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.629 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -57.34 136.88 56.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.605 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' H ' ' HA ' ' A' ' 39' ' ' SER . 41.1 mmtt -115.79 -3.48 12.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.478 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.615 ' N ' ' SD ' ' A' ' 16' ' ' MET . 97.7 m-85 -153.52 151.09 29.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.966 0.412 . . . . 0.0 111.072 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.479 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 96.3 m -108.3 145.66 34.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.773 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.684 ' CE2' ' O ' ' A' ' 36' ' ' GLY . 25.1 p90 -131.82 140.88 49.29 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.397 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -111.02 84.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.078 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -75.24 118.79 18.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' MET . 71.0 p -96.2 -20.98 18.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.351 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 25' ' ' MET . . . 62.6 -80.41 0.03 OUTLIER Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.541 ' C ' ' O ' ' A' ' 24' ' ' GLY . 10.1 ptm 27.29 61.66 0.6 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.488 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.79 -92.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.867 2.378 . . . . 0.0 112.178 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -88.41 -6.03 57.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.773 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.75 167.59 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.578 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -56.73 -56.55 20.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.682 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tp 65.4 107.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.375 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.84 40.81 1.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.763 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mt -114.5 126.33 54.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.446 ' H ' HG22 ' A' ' 33' ' ' ILE . 2.4 tt -83.75 129.72 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 mp -120.39 59.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.006 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.631 ' NE2' ' O ' ' A' ' 4' ' ' TYR . 0.7 OUTLIER -83.74 139.76 32.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.076 -179.559 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.684 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -171.81 153.73 20.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.5 165.97 10.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.901 0.382 . . . . 0.0 111.203 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.9 t -168.14 159.93 11.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.591 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.457 ' HA ' ' H ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -79.13 -31.04 43.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.26 87.76 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.5 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 42' ' ' SER . 36.1 t -87.49 160.67 18.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.737 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.523 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 0.2 OUTLIER -116.79 92.33 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.586 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 43.7 mt-10 -51.76 106.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.479 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' ASN . 9.8 p -141.3 157.66 44.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.534 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -33.46 23.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.766 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.474 ' OD1' ' O ' ' A' ' 24' ' ' GLY . 2.5 t-20 -88.6 -38.71 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.669 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 42' ' ' SER . 1.1 t30 -128.09 105.73 8.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.489 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 2.0 mmmt -92.98 172.14 8.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.733 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 2.2 m -139.83 130.54 25.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.069 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -124.99 166.82 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.155 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.53 42.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.604 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.504 ' O ' ' O ' ' A' ' 53' ' ' ASP . 4.6 m -127.49 25.33 6.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.619 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 55' ' ' CYS . 4.7 m-20 54.6 154.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.417 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.531 ' C ' ' O ' ' A' ' 53' ' ' ASP . 1.4 ptt180 30.79 30.89 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.206 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.673 ' N ' ' O ' ' A' ' 53' ' ' ASP . 4.5 p -69.18 -36.44 77.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.505 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.628 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -76.89 87.29 3.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.502 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.091 -0.956 . . . . 0.0 110.534 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 1' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.66 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -154.79 163.54 40.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.395 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 35.2 m -165.82 178.69 6.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.499 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.454 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 54.5 m-85 -81.35 89.58 6.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.414 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.449 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 1.3 tm0? -96.45 -26.63 15.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.837 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -136.68 36.2 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.384 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.15 -6.69 82.87 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' O ' HG13 ' A' ' 10' ' ' VAL . 9.8 mtmt -139.54 145.92 39.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.322 . . . . 0.0 110.484 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.454 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 2.3 m -57.28 92.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.514 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 8' ' ' LYS . 34.5 m -117.03 142.45 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.804 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 11' ' ' THR . 7.9 t -62.93 112.09 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.484 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 76.4 m -61.41 -174.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.573 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 15' ' ' ASP . 3.0 m80 -65.07 133.87 52.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -41.37 -27.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.433 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -74.56 -53.63 9.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.554 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -63.14 135.33 57.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.299 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -130.83 -8.23 3.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 18.3 m-85 -119.17 140.98 49.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.3 m -99.76 139.17 35.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.59 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.615 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 26.6 p90 -124.1 145.9 48.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.463 0.649 . . . . 0.0 112.038 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -117.83 90.46 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.566 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 24' ' ' GLY . 1.7 t30 -77.37 110.26 11.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -10.86 44.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.198 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.577 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -74.75 123.72 7.64 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -152.8 75.93 6.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.342 . . . . 0.0 110.533 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.28 -36.54 1.79 Allowed 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.726 2.284 . . . . 0.0 112.052 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.83 39.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.312 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.11 111.07 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.761 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -161.59 78.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.286 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tp 66.54 3.42 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.283 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -108.86 77.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.591 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.58 ' O ' ' O ' ' A' ' 33' ' ' ILE . 3.8 mt -95.82 177.87 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.496 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.637 ' O ' HG22 ' A' ' 33' ' ' ILE . 1.4 mm 27.55 99.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.641 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mt -100.19 52.99 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.247 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.609 ' NE2' ' O ' ' A' ' 20' ' ' TYR . 1.4 tm0? -83.06 127.34 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.615 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -158.43 -171.54 24.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.449 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -107.46 164.32 12.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.753 0.311 . . . . 0.0 110.523 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.79 130.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.743 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' ' C ' ' A' ' 40' ' ' SER . 0.8 OUTLIER -71.52 143.12 50.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.484 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 39' ' ' SER . 14.2 t 33.9 52.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.33 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 42' ' ' SER . 50.6 t -49.68 173.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.826 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.609 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 7.3 t -129.55 81.55 2.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.566 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 42' ' ' SER . 8.2 tm-20 -31.27 120.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.69 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.452 ' HB ' ' H ' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -131.23 176.22 8.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.42 179.817 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.96 -24.09 60.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.573 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.577 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 4.7 t-20 -112.49 -27.49 8.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.517 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.452 ' H ' ' HB ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -118.52 95.93 5.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.575 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -87.77 161.67 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.456 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.35 130.46 17.4 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.068 0.461 . . . . 0.0 111.333 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -110.94 -172.02 1.95 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.052 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 p -140.95 31.34 1.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.509 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.624 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -126.38 -171.55 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.459 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.624 ' H ' HG22 ' A' ' 52' ' ' THR . 0.0 OUTLIER -96.88 151.43 19.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.593 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 53' ' ' ASP . 7.0 ptt-85 33.4 39.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.696 ' SG ' ' ND2' ' A' ' 56' ' ' ASN . 9.4 p -79.04 -36.16 41.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.696 ' ND2' ' SG ' ' A' ' 55' ' ' CYS . 9.5 m120 -86.81 107.9 18.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.502 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.2 mttp . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.523 -179.908 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -152.59 157.0 40.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.009 0.433 . . . . 0.0 110.924 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -154.25 -160.97 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.911 179.434 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.538 ' CE1' HG23 ' A' ' 9' ' ' VAL . 38.0 m-85 -97.89 93.76 6.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.279 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -95.02 -38.8 10.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.186 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.34 43.54 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.658 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.9 -13.03 20.77 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.563 ' O ' HG13 ' A' ' 10' ' ' VAL . 3.6 mmmt -124.78 154.61 40.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 0.0 110.351 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.538 HG23 ' CE1' ' A' ' 4' ' ' TYR . 64.1 t -69.06 103.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.439 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 8' ' ' LYS . 2.2 m -125.18 153.57 32.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.63 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 11' ' ' THR . 2.2 t -80.57 107.49 13.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.764 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 11.2 m -63.58 158.86 20.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.068 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.32 174.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.989 0.423 . . . . 0.0 111.002 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.0 ttp85 -67.67 -41.84 83.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.561 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.611 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -52.27 -53.73 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.344 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.442 ' SD ' ' HB3' ' A' ' 12' ' ' CYS . 2.3 mtt -58.2 127.18 30.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . 8.2 mttt -128.64 -1.65 5.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.632 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.481 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 71.5 m-85 -140.22 139.75 35.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.126 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 m -100.73 137.3 39.31 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.656 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 40.5 p90 -121.01 145.01 48.22 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.829 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.444 ' CD2' ' OD1' ' A' ' 56' ' ' ASN . 1.7 t60 -119.52 111.19 17.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.746 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -79.71 144.26 33.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.055 0.455 . . . . 0.0 111.336 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.3 -22.5 6.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.102 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.502 ' CA ' ' OD1' ' A' ' 46' ' ' ASN . . . 63.49 -157.42 41.11 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.4 tpt -116.44 95.78 46.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.666 0.269 . . . . 0.0 110.444 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -79.82 78.28 3.76 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.581 2.187 . . . . 0.0 112.216 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 80.7 t80 -130.23 72.15 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.45 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 2.7 ttm180 62.29 44.28 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -137.49 -164.83 1.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.563 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.52 117.26 29.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.471 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -76.16 98.23 4.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.596 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 mt -92.48 158.43 16.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.553 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.9 mm -108.64 123.78 64.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.966 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.69 72.43 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.336 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.424 ' OE1' ' ND2' ' A' ' 56' ' ' ASN . 18.6 pt20 -104.78 134.02 48.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.661 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.656 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -171.0 177.76 43.8 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.71 163.03 12.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.802 0.334 . . . . 0.0 110.3 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.68 161.13 13.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.643 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.22 -72.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.397 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.3 p -83.77 55.91 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.329 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 18.4 t -50.47 146.18 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.801 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.63 83.04 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.459 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.562 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 16.7 tt0 -51.31 113.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.588 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 p -150.8 156.73 41.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.454 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 46' ' ' ASN . 10.8 pt-20 -49.66 -40.78 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.497 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.502 ' OD1' ' CA ' ' A' ' 24' ' ' GLY . 23.0 t30 -71.25 -44.25 65.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.157 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.585 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -132.56 111.41 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.287 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -81.27 175.53 10.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.923 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.562 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 80.9 m -142.46 128.52 19.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.336 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.75 169.78 12.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.426 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.22 28.81 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.481 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.78 163.15 19.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.457 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -77.21 123.12 26.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.873 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 66.61 28.45 9.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.857 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.8 t -53.95 -61.07 2.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.269 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.444 ' OD1' ' CD2' ' A' ' 21' ' ' HIS . 2.6 t30 -62.97 128.11 34.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.369 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 tttm . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.531 -179.75 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' H ' ' HB3' ' A' ' 53' ' ' ASP . 3.8 pttt -169.73 156.14 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.83 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.83 160.16 43.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.202 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.606 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 37.7 m-85 -68.32 86.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.166 0.508 . . . . 0.0 110.892 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.453 ' OE1' ' CE1' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -80.75 -55.1 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.15 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.453 ' CE1' ' OE1' ' A' ' 5' ' ' GLN . 1.5 m-70 -114.77 50.49 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.155 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.15 8.17 58.18 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -142.1 123.74 15.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.464 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.606 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -50.57 93.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.6 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 8' ' ' LYS . 12.0 m -115.92 142.71 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.755 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -68.29 121.01 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.503 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.549 ' O ' ' O ' ' A' ' 13' ' ' HIS . 60.6 m -73.65 -174.73 1.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.715 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.727 ' ND1' ' SD ' ' A' ' 16' ' ' MET . 2.7 m80 -51.09 -162.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -93.68 -32.66 13.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.408 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -81.4 -49.1 11.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.727 ' SD ' ' ND1' ' A' ' 13' ' ' HIS . 9.4 mtt -49.47 104.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.536 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -115.22 4.19 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.149 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.542 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 6.7 m-85 -130.05 133.74 46.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.784 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.5 m -99.49 134.05 42.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.655 ' CE2' ' C ' ' A' ' 36' ' ' GLY . 30.8 p90 -115.75 145.83 42.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.357 0.599 . . . . 0.0 111.571 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.663 ' N ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -113.82 109.89 19.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.672 179.4 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 23' ' ' THR . 27.6 t-20 -101.2 127.65 47.67 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.178 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.581 ' O ' ' O ' ' A' ' 24' ' ' GLY . 1.2 t -140.03 15.8 2.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.368 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.581 ' O ' ' O ' ' A' ' 23' ' ' THR . . . -27.49 149.94 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.27 59.01 3.72 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 110.647 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -56.91 -178.11 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.729 2.286 . . . . 0.0 111.691 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -54.98 -41.18 70.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.627 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -78.47 116.93 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -40.2 115.76 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.445 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -151.65 83.98 1.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.694 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -117.79 83.23 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.483 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 32' ' ' LEU . 51.8 mt -133.1 120.59 21.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.729 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 32' ' ' LEU . 5.0 mm -39.17 123.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.0 30.59 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.818 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 4' ' ' TYR . 26.1 pt20 -68.66 135.21 51.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.563 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.655 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -162.7 -176.99 35.34 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.94 162.38 13.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.389 . . . . 0.0 110.748 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 t -163.97 145.29 8.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.496 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -55.52 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.651 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.521 ' O ' ' OG ' ' A' ' 40' ' ' SER . 2.7 p -107.86 58.82 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.628 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 42.6 t -56.24 122.89 12.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.647 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.582 ' O ' ' OG1' ' A' ' 44' ' ' THR . 43.8 t -97.59 82.31 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.373 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.691 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 68.0 tt0 -36.03 131.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.667 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -159.69 151.58 20.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.449 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -41.99 -40.6 2.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.635 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.509 ' C ' ' OD1' ' A' ' 46' ' ' ASN . 14.1 t-20 -79.6 -46.56 17.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.381 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.667 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -125.16 112.95 17.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.464 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -86.8 -167.93 2.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.509 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.691 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 59.1 m -153.67 126.67 8.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.792 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -118.13 168.52 10.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.101 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 p -154.82 33.76 0.4 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.568 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -132.48 24.04 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.587 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER 49.79 164.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.518 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 53' ' ' ASP . 10.8 ttt180 37.27 20.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.979 0.418 . . . . 0.0 110.29 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.673 ' N ' ' O ' ' A' ' 53' ' ' ASP . 6.4 t -73.35 -53.22 11.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.716 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.664 ' N ' HD22 ' A' ' 56' ' ' ASN . 0.0 OUTLIER -55.0 95.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.777 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 56' ' ' ASN . 9.1 ttpt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.605 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.424 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -172.92 171.18 4.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.992 0.425 . . . . 0.0 110.952 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -160.93 -178.2 6.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.038 179.668 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.557 ' CZ ' HG22 ' A' ' 9' ' ' VAL . 41.2 m-85 -100.42 95.52 6.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.096 0.474 . . . . 0.0 110.788 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.507 ' HB2' HG21 ' A' ' 10' ' ' VAL . 22.3 tt0 -91.61 -45.36 8.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.717 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.49 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.6 t60 -124.87 51.53 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.626 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.64 -35.37 1.19 Allowed Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 6' ' ' HIS . 1.1 mttm -89.71 176.6 6.79 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.557 HG22 ' CZ ' ' A' ' 4' ' ' TYR . 17.3 t -95.98 107.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.527 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 5' ' ' GLN . 16.9 m -98.12 144.91 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.555 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.774 ' O ' HG22 ' A' ' 11' ' ' THR . 20.3 m -99.45 67.97 1.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -45.12 124.42 4.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.199 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.705 ' CG ' ' H ' ' A' ' 14' ' ' ARG . 13.4 t-80 -152.58 -159.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.796 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.705 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER 60.84 -3.48 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.562 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.549 ' H ' ' C ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER 173.34 -51.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.361 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.4 mtt -60.27 125.08 22.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.437 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.43 -8.6 5.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.718 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -134.75 140.21 45.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.193 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 38.8 m -99.62 141.2 32.73 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 5.0 p90 -127.57 159.93 33.12 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.844 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -137.15 98.22 3.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.732 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.456 ' OD1' ' C ' ' A' ' 22' ' ' ASN . 1.2 t-20 -84.27 109.26 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 0.0 110.714 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' GLY . 14.6 p -112.36 13.57 20.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.298 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.671 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -36.4 108.21 0.06 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.55 ' C ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -25.55 92.71 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.723 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.513 ' N ' ' O ' ' A' ' 24' ' ' GLY . 51.7 Cg_exo -50.18 -168.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.607 2.205 . . . . 0.0 111.922 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.567 ' O ' ' O ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -115.06 30.62 7.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.646 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.567 ' O ' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER 48.31 111.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.602 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -167.71 -53.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.478 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' HA ' HD12 ' A' ' 30' ' ' LEU . 28.3 tp -153.27 -11.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.522 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.2 tttp 72.78 59.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.694 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.73 ' H ' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -76.3 116.13 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.349 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.3 mm -70.51 132.72 32.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.625 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt -116.07 77.38 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.381 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.516 ' OE1' ' CB ' ' A' ' 56' ' ' ASN . 6.4 tt0 -125.33 130.09 51.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.587 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.61 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -164.8 -177.66 37.55 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.22 163.54 12.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.938 0.399 . . . . 0.0 110.787 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -164.4 140.58 6.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.623 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -39.37 80.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.486 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -125.98 82.52 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.562 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.2 t -80.99 156.81 25.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.403 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.565 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -114.14 84.11 1.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.644 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' SER . 4.9 tm-20 -38.36 128.09 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.752 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.59 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -160.76 146.02 14.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.483 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -42.21 -42.01 2.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.898 0.38 . . . . 0.0 110.18 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.671 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 2.2 t30 -81.85 -48.56 11.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.109 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -108.25 103.93 13.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.106 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -98.36 156.18 16.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.634 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m -133.57 120.82 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.022 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 19' ' ' CYS . 25.9 p -113.79 149.72 34.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.988 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.09 34.6 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.918 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -124.39 -153.45 0.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.306 179.715 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.8 m-20 -110.3 147.4 33.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.426 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' ASP . 25.7 ptt-85 37.04 30.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.576 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.4 p -86.95 -10.71 52.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.636 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.516 ' CB ' ' OE1' ' A' ' 35' ' ' GLN . 4.7 p30 -39.35 -48.99 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.543 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.643 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 11' ' ' THR . 8.9 mp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -156.95 160.09 38.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -153.89 179.95 8.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.422 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.46 ' OH ' ' NH1' ' A' ' 54' ' ' ARG . 38.4 m-85 -86.41 90.69 8.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.629 ' OE1' ' SG ' ' A' ' 37' ' ' CYS . 2.2 tt0 -95.98 -34.8 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.03 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.73 32.08 4.42 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.883 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.27 -7.54 81.34 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.899 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -135.02 119.92 18.51 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.85 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -40.88 91.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.11 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.899 HG13 ' O ' ' A' ' 8' ' ' LYS . 19.8 m -108.73 143.23 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 1' ' ' LEU . 17.6 m -67.38 93.03 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.525 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 67.7 m -40.6 160.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.347 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.419 ' HB2' ' SD ' ' A' ' 16' ' ' MET . 30.1 m80 -43.14 166.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -68.62 -22.6 64.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.538 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.441 ' O ' ' OG ' ' A' ' 39' ' ' SER . 12.4 t70 -81.02 -46.5 14.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.37 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.419 ' SD ' ' HB2' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -63.65 116.22 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.353 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -118.03 6.57 12.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.773 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -137.88 132.98 33.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.712 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.7 m -103.14 148.05 26.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.683 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 36.6 p90 -142.57 150.9 40.98 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.747 -0.781 . . . . 0.0 111.713 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -115.39 104.14 11.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.873 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.4 ' HB3' ' H ' ' A' ' 34' ' ' LEU . 20.9 t-20 -75.35 137.87 41.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.836 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -131.11 5.07 4.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.34 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' THR . . . -33.49 -65.76 0.27 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.462 ' N ' ' HD3' ' A' ' 26' ' ' PRO . 0.0 OUTLIER 49.77 61.33 13.93 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 120.796 0.331 . . . . 0.0 110.905 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 25' ' ' MET . 35.2 Cg_exo -53.58 167.73 0.88 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.623 2.216 . . . . 0.0 112.134 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 29' ' ' ASN . 61.7 m-85 -66.1 -128.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.464 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -48.81 87.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.466 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 27' ' ' PHE . 9.5 m120 -151.48 -160.27 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.642 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.0 -15.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.582 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -78.79 77.77 5.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.363 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' ILE . 3.0 mt -61.51 -153.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.464 ' C ' ' O ' ' A' ' 32' ' ' LEU . 51.4 mt -33.56 140.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.843 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.4 ' H ' ' HB3' ' A' ' 22' ' ' ASN . 0.5 OUTLIER -128.38 58.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.54 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -76.25 140.76 41.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.674 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.683 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . 177.49 -176.49 48.07 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.629 ' SG ' ' OE1' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -106.28 167.01 10.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 0.0 110.485 179.795 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.17 128.68 0.88 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.659 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -63.79 -33.88 76.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.632 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.8 m -121.47 48.48 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.668 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 43.0 t -49.33 130.46 19.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.446 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.3 OUTLIER -90.38 90.57 8.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -47.5 119.57 2.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.5 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 42' ' ' SER . 0.2 OUTLIER -161.29 150.58 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.707 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -43.99 -37.61 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.634 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.566 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 22.8 t-20 -77.34 -37.43 52.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -128.83 108.73 10.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.317 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -98.19 133.75 42.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.534 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 m -103.0 131.78 49.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -114.98 -177.79 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.132 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 p -149.53 24.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.523 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 144.01 51.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.624 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.616 ' O ' ' CB ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -65.59 119.99 12.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.359 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.616 ' CB ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER 90.4 20.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.425 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -49.78 56.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.738 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.778 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -86.17 167.35 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.662 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.2 tttt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.644 -179.883 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.667 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -176.32 163.5 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.193 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.667 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 9.6 m -169.19 -173.78 1.83 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.832 0.349 . . . . 0.0 110.996 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.667 ' CE1' HG23 ' A' ' 9' ' ' VAL . 45.1 m-85 -87.23 93.69 9.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.682 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -89.54 -46.41 8.69 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.727 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -122.22 51.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.468 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.5 -9.05 16.25 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -128.94 152.2 48.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.504 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.667 HG23 ' CE1' ' A' ' 4' ' ' TYR . 47.3 t -71.31 104.28 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.709 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 m -130.75 144.32 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.0 m -68.09 113.19 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.577 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 m -64.61 -176.98 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.413 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.43 ' ND1' ' OD2' ' A' ' 15' ' ' ASP . 2.4 t-80 -67.26 161.2 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.54 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -61.51 -30.75 70.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.562 ' O ' ' OG ' ' A' ' 39' ' ' SER . 34.2 m-20 -62.76 -48.59 78.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -73.07 128.98 37.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.723 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 21.0 mtpt -128.11 2.97 5.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.491 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 17' ' ' LYS . 19.8 m-85 -137.52 144.54 42.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.954 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 m -99.49 134.87 41.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.49 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 28.8 p90 -118.24 147.52 43.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.337 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.434 ' NE2' HD11 ' A' ' 33' ' ' ILE . 7.7 t-160 -121.3 85.4 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.003 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -83.07 127.53 33.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.526 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 p -118.27 -4.59 10.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.679 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.52 -166.45 12.01 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.9 mtt 38.77 65.81 2.99 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.723 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' O ' ' O ' ' A' ' 27' ' ' PHE . 35.7 Cg_endo -68.59 3.52 2.19 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.736 2.291 . . . . 0.0 111.926 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.632 ' O ' ' N ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER 42.42 98.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.632 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 50.45 -79.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.576 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.632 ' N ' ' O ' ' A' ' 27' ' ' PHE . 25.8 p30 -145.53 -169.3 3.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.632 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.456 ' CB ' ' O ' ' A' ' 29' ' ' ASN . 1.2 tp 78.6 159.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.605 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -98.27 53.78 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.426 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.86 125.83 14.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.633 ' C ' HD12 ' A' ' 34' ' ' LEU . 7.0 tp -94.49 127.73 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.28 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.633 HD12 ' C ' ' A' ' 33' ' ' ILE . 10.8 mp -117.35 55.13 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.553 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.478 ' HG2' HD22 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -89.81 139.08 30.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.386 179.818 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.49 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -176.04 -166.41 33.36 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.74 162.91 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.014 0.435 . . . . 0.0 110.957 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 t -169.94 148.65 3.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.347 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.562 ' OG ' ' O ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -79.22 -50.72 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.768 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.43 45.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.749 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 25.8 t -46.6 118.72 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.4 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.07 90.22 4.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.624 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -57.83 135.21 56.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.512 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.65 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -160.67 -162.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.569 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.31 -29.26 26.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.468 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.84 -23.2 13.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.134 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.65 ' O ' ' N ' ' A' ' 44' ' ' THR . 6.2 t30 -128.49 106.77 9.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.948 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.48 ' C ' ' SG ' ' A' ' 49' ' ' CYS . 35.8 mtmt -100.92 -175.27 2.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.36 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.48 ' SG ' ' C ' ' A' ' 48' ' ' LYS . 4.2 m -151.09 126.84 10.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.712 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.86 -177.14 3.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.988 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.8 p -166.44 25.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.294 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.533 ' O ' ' O ' ' A' ' 53' ' ' ASP . 7.5 m -110.75 26.62 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.685 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.681 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.2 m-20 54.57 153.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.132 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.552 ' C ' ' O ' ' A' ' 53' ' ' ASP . 3.9 ptm180 27.71 34.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.089 0.471 . . . . 0.0 110.119 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.681 ' N ' ' O ' ' A' ' 53' ' ' ASP . 35.1 t -82.88 -44.31 15.57 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.585 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.571 ' O ' ' OXT' ' A' ' 57' ' ' LYS . 52.2 p-10 -70.88 91.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.412 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.571 ' OXT' ' O ' ' A' ' 56' ' ' ASN . 39.1 mttt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.4 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.424 ' O ' HD12 ' A' ' 1' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 4.7 pttt -168.49 156.31 8.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.001 0.429 . . . . 0.0 111.25 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -158.99 -174.21 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.953 179.113 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.556 ' CZ ' HG22 ' A' ' 9' ' ' VAL . 40.5 m-85 -100.92 94.68 6.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.009 0.433 . . . . 0.0 110.687 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.584 ' HB2' HG21 ' A' ' 10' ' ' VAL . 56.3 tt0 -90.52 -52.71 4.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.61 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -126.84 40.49 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.05 -31.96 3.61 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -95.62 110.8 22.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.35 . . . . 0.0 110.6 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.556 HG22 ' CZ ' ' A' ' 4' ' ' TYR . 57.9 t -38.02 94.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.459 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.584 HG21 ' HB2' ' A' ' 5' ' ' GLN . 17.7 m -77.59 141.26 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.095 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' CYS . 4.1 t -93.42 54.17 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.771 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.465 ' SG ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -40.35 128.35 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.148 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.622 ' C ' ' H ' ' A' ' 15' ' ' ASP . 1.8 t-80 -163.44 -166.45 1.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.764 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.451 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 6.5 tpm_? 62.45 -13.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.768 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.622 ' H ' ' C ' ' A' ' 13' ' ' HIS . 19.0 t70 -166.58 -54.27 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.734 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.25 126.79 29.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -127.7 -8.16 5.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.232 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -129.82 137.91 50.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.823 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.487 ' C ' HD21 ' A' ' 56' ' ' ASN . 58.5 m -102.2 139.97 37.11 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.634 ' CE1' ' N ' ' A' ' 36' ' ' GLY . 23.3 p90 -125.31 149.2 48.29 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.793 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.93 85.53 2.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.164 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 16.5 t-20 -63.55 127.98 33.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.797 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.61 -20.25 13.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.365 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.649 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -50.96 149.71 6.86 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -113.55 135.76 21.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.87 176.42 9.89 Favored 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 122.572 2.181 . . . . 0.0 112.19 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.538 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -63.71 -47.68 80.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.507 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.583 ' C ' ' H ' ' A' ' 30' ' ' LEU . 46.9 mtm180 -70.73 133.16 46.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.476 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -68.63 33.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.565 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' H ' ' C ' ' A' ' 28' ' ' ARG . 4.8 mp -134.11 162.09 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt 50.84 65.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.625 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mp -87.27 23.44 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.437 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 mm -122.71 130.87 74.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.334 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 0.5 OUTLIER -145.09 51.03 1.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.261 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -98.44 139.16 34.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.428 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.634 ' N ' ' CE1' ' A' ' 20' ' ' TYR . . . -165.67 -163.11 18.42 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.56 165.53 14.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.061 0.457 . . . . 0.0 110.808 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -173.24 164.62 4.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.446 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.495 ' OG ' ' OD2' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -87.67 -43.51 11.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.393 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.8 t -117.74 72.31 0.85 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.403 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 42.9 t -66.17 144.34 56.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.477 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.97 86.69 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.652 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' C ' ' OG1' ' A' ' 44' ' ' THR . 33.4 tt0 -49.77 142.24 8.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.698 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.606 ' O ' ' N ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -177.46 139.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.521 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 44' ' ' THR . 1.6 mm-40 -37.11 -23.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.742 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.649 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 58.8 t-20 -91.91 -39.14 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.507 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' A' ' 44' ' ' THR . 16.9 t-20 -130.83 117.9 20.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.562 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.51 166.74 11.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 m -137.97 124.09 20.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.03 -165.23 1.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.003 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.577 ' O ' ' OG ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -158.1 23.33 0.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.971 0.415 . . . . 0.0 110.568 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.736 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -129.27 -162.71 1.22 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.142 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.736 ' H ' HG22 ' A' ' 52' ' ' THR . 0.0 OUTLIER -93.57 144.32 25.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.419 179.781 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 53' ' ' ASP . 11.7 ptt180 34.41 46.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.506 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.6 t -75.75 -30.64 59.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.373 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.546 ' OD1' ' N ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -82.82 43.79 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.387 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.536 ' O ' ' O ' ' A' ' 56' ' ' ASN . 6.2 mtpm? . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.415 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 17' ' ' LYS . 6.3 mt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.445 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -126.38 155.59 41.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.814 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.494 ' HB3' HD21 ' A' ' 56' ' ' ASN . 0.0 OUTLIER -154.48 -176.38 5.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.369 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.401 ' CE1' HG22 ' A' ' 9' ' ' VAL . 39.0 m-85 -101.0 95.42 6.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.002 0.43 . . . . 0.0 110.458 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.456 ' OE1' ' SG ' ' A' ' 37' ' ' CYS . 16.6 tt0 -97.96 -31.11 12.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.319 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -136.37 44.22 2.42 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.05 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.74 -38.33 2.81 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -92.28 -178.53 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.401 HG22 ' CE1' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -98.41 103.74 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.931 0.395 . . . . 0.0 110.816 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.427 HG21 ' CB ' ' A' ' 5' ' ' GLN . 24.4 m -90.3 151.32 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.275 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.18 66.17 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.749 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 m -44.32 130.34 6.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.122 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.536 ' C ' ' H ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -155.62 -155.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.967 -179.434 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.485 ' C ' ' CG ' ' A' ' 15' ' ' ASP . 18.0 ttt180 63.02 -5.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.606 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.601 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER 164.98 -42.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.517 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.3 mtt -65.61 105.72 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.554 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.484 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 53.5 mttt -116.02 12.28 15.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.701 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 17' ' ' LYS . 67.6 m-85 -147.07 139.59 24.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.405 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 7.5 m -100.52 142.77 31.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.637 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 5.7 p90 -128.35 146.09 50.87 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.689 -179.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.685 ' CG ' ' OE1' ' A' ' 35' ' ' GLN . 4.2 t60 -117.25 91.62 3.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.627 179.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 15.4 t30 -76.91 119.85 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.375 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 24' ' ' GLY . 24.7 p -99.41 -16.81 18.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.693 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.498 ' N ' ' OD1' ' A' ' 22' ' ' ASN . . . 42.31 -166.67 0.01 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.78 168.11 22.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.916 0.389 . . . . 0.0 110.529 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.569 ' O ' ' O ' ' A' ' 27' ' ' PHE . 72.9 Cg_exo -42.9 -68.58 0.1 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.907 2.405 . . . . 0.0 112.157 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.569 ' O ' ' O ' ' A' ' 26' ' ' PRO . 2.4 m-85 52.39 156.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.586 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -157.41 97.23 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.493 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.508 ' ND2' ' H ' ' A' ' 30' ' ' LEU . 1.7 p-10 -137.17 -90.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.775 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.508 ' H ' ' ND2' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -143.51 -67.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.606 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -87.55 87.61 7.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.712 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.2 mt -91.22 35.39 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.45 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.467 ' HA ' HD13 ' A' ' 33' ' ' ILE . 6.6 mm -124.6 128.9 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.555 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.2 71.3 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.579 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.685 ' OE1' ' CG ' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -98.23 142.57 29.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.472 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.637 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -174.67 163.72 34.29 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.456 ' SG ' ' OE1' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -96.54 168.98 10.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.884 0.373 . . . . 0.0 110.739 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -168.71 160.14 10.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.495 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.5 t -96.44 -21.01 18.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' CYS . 0.9 OUTLIER -135.31 36.47 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.745 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 48' ' ' LYS . 36.8 t -36.56 129.46 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.63 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.3 p -86.95 85.86 7.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.691 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.562 ' O ' HG23 ' A' ' 44' ' ' THR . 20.4 tt0 -53.56 125.55 18.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.762 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.627 ' N ' ' O ' ' A' ' 47' ' ' ASN . 1.2 p -158.51 -176.24 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.445 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.31 -35.08 73.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 24' ' ' GLY . 3.8 t-20 -86.88 -46.19 10.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.942 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.627 ' O ' ' N ' ' A' ' 44' ' ' THR . 2.7 m120 -116.19 116.3 27.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.261 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.49 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 2.0 mtpm? -97.43 -177.25 3.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 8.9 m -152.7 130.81 11.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.624 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 p -142.66 153.4 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.62 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.529 ' O ' ' OG ' ' A' ' 51' ' ' SER . 4.0 t -139.78 42.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.56 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.28 24.27 12.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.581 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.56 ' O ' ' O ' ' A' ' 52' ' ' THR . 1.1 m-20 53.88 127.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 58.8 29.3 18.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 56' ' ' ASN . 29.9 p -71.11 -38.71 72.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.605 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.544 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -89.98 74.95 7.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.61 -179.831 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 pttm . . . . . 0 C--O 1.219 -0.552 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.592 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.46 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -168.08 158.55 10.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.896 -179.792 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.577 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -155.08 179.01 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.409 179.624 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.908 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 37.9 m-85 -82.07 89.0 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.732 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.44 ' HG3' ' SG ' ' A' ' 37' ' ' CYS . 2.6 tt0 -89.35 -40.31 12.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.713 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -126.13 48.33 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.65 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.32 -6.63 21.54 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.32 129.46 39.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 0.0 110.427 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.908 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -55.27 99.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.514 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.54 162.76 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 m -75.52 97.17 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.577 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 63.1 m -49.71 152.0 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.262 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.566 ' O ' ' O ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -35.71 163.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.608 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -36.83 84.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.69 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -39.38 68.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.35 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.456 ' SD ' ' HB2' ' A' ' 13' ' ' HIS . 24.1 mtt -68.3 106.86 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.394 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -120.27 14.11 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 14.3 m-85 -142.0 130.58 22.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.313 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 m -100.46 141.15 33.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.636 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.641 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 43.9 p90 -122.86 145.79 48.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.231 0.538 . . . . 0.0 111.686 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.651 ' N ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -113.81 85.6 2.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.837 179.307 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.514 ' C ' ' OD1' ' A' ' 22' ' ' ASN . 10.3 t-20 -81.36 130.76 35.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.027 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.28 -19.86 12.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.209 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.56 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . 48.17 -112.98 1.27 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -115.74 88.57 20.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.777 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -80.61 13.25 2.33 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.774 2.316 . . . . 0.0 112.063 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.96 -0.3 25.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.593 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.17 -44.67 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.606 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.547 ' C ' ' H ' ' A' ' 31' ' ' LYS . 12.6 t-20 -144.44 -21.72 0.54 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.504 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tt 68.36 -37.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.679 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.547 ' H ' ' C ' ' A' ' 29' ' ' ASN . 17.4 ttmt -84.19 55.77 3.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.584 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -131.22 39.16 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.7 mm -41.83 126.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.762 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mt -125.44 56.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.515 HE21 ' HB2' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -86.57 139.41 30.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.814 -179.79 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.641 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -172.46 -174.68 39.94 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.44 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -116.8 166.53 12.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.024 0.44 . . . . 0.0 110.86 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.44 166.35 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.82 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -45.95 5.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.124 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.592 ' O ' ' O ' ' A' ' 41' ' ' CYS . 0.3 OUTLIER -109.89 52.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.065 179.529 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.737 ' SG ' ' N ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -37.28 170.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.142 -179.652 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.737 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 31.6 t -143.42 58.48 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.17 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' C ' ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -28.94 145.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.763 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.634 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -167.16 -171.91 1.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.638 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.34 -32.74 37.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.56 ' ND2' ' O ' ' A' ' 24' ' ' GLY . 2.9 t-20 -97.81 -18.26 18.86 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.634 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -131.5 110.01 10.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.077 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.485 ' HB2' ' ND1' ' A' ' 21' ' ' HIS . 2.2 mptp? -95.76 171.99 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.68 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.2 m -143.97 139.42 29.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.965 0.412 . . . . 0.0 111.383 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 t -135.88 156.63 48.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.439 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.548 ' O ' ' OG ' ' A' ' 51' ' ' SER . 1.5 t -122.66 24.1 9.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.504 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.93 161.46 18.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.566 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.41 128.78 33.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.417 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 64.59 35.47 9.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.005 0.431 . . . . 0.0 110.123 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.4 t -76.9 -39.58 50.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.468 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.515 ' HB2' HE21 ' A' ' 35' ' ' GLN . 0.1 OUTLIER -79.93 178.09 8.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.634 -179.743 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.456 ' H ' HE21 ' A' ' 35' ' ' GLN . 30.8 tptt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.436 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.718 ' O ' HG23 ' A' ' 11' ' ' THR . 11.3 mt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.623 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -168.02 -177.73 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.539 179.798 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.623 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -173.42 176.79 2.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.62 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.634 ' CE1' HG23 ' A' ' 9' ' ' VAL . 30.6 m-85 -79.08 86.6 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.056 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.711 ' NE2' ' SG ' ' A' ' 12' ' ' CYS . 2.3 tt0 -89.67 -44.25 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.067 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.62 37.73 4.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.784 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.18 -6.28 83.74 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.715 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -137.39 125.28 22.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.684 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.634 HG23 ' CE1' ' A' ' 4' ' ' TYR . 16.8 t -44.31 98.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.243 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 8' ' ' LYS . 15.9 m -121.38 151.54 24.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.718 HG23 ' O ' ' A' ' 1' ' ' LEU . 12.4 m -78.99 107.6 11.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.395 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.711 ' SG ' ' NE2' ' A' ' 5' ' ' GLN . 1.2 m -58.74 -166.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.333 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -53.04 174.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.115 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -88.48 3.42 50.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.626 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -112.1 -23.59 10.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.749 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.522 ' SD ' ' C ' ' A' ' 37' ' ' CYS . 55.3 mtt -86.42 123.82 32.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 0.0 110.814 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -117.28 -7.53 11.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.719 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -115.67 135.68 53.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.004 0.43 . . . . 0.0 110.686 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.7 m -105.63 148.91 26.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.353 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.686 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 21.9 p90 -143.11 159.92 41.38 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.607 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -125.66 87.82 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.945 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.429 ' OD1' ' CG ' ' A' ' 47' ' ' ASN . 1.8 m120 -65.72 137.83 57.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.72 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 p -111.32 -21.53 11.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.54 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.494 ' C ' ' OD1' ' A' ' 46' ' ' ASN . . . 60.36 -167.96 9.41 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.5 mtt -54.09 143.7 42.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.346 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -72.57 111.37 3.21 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.642 2.228 . . . . 0.0 112.277 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -132.14 -176.28 4.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.435 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -124.55 0.5 8.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.897 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.606 ' OD1' ' N ' ' A' ' 30' ' ' LEU . 30.9 p-10 -58.02 -18.67 25.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.606 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 2.9 tp 57.09 40.42 28.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.778 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.41 56.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' HG ' HD21 ' A' ' 29' ' ' ASN . 6.2 mt -134.47 83.92 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.1 tp -114.96 104.21 16.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.731 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 33' ' ' ILE . 7.8 mp -117.64 21.24 13.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.16 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.439 ' CD ' ' O ' ' A' ' 4' ' ' TYR . 16.7 pt20 -57.87 135.51 56.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.908 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.686 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -168.42 -179.99 41.09 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.546 -1.021 . . . . 0.0 110.546 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.522 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -108.91 168.03 9.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.019 0.438 . . . . 0.0 110.891 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.427 ' HA ' ' SD ' ' A' ' 16' ' ' MET . 0.3 OUTLIER -159.02 162.38 36.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.762 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.05 -28.58 17.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.423 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.5 ' O ' ' C ' ' A' ' 41' ' ' CYS . 1.3 m -132.35 33.45 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.376 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 40' ' ' SER . 16.0 t -30.64 125.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.669 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' ' C ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -93.69 79.62 4.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.536 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.574 ' OE2' ' O ' ' A' ' 49' ' ' CYS . 10.0 mm-40 -32.44 140.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -161.35 174.23 13.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.543 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.504 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 6.8 tm-20 -74.36 -26.13 59.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.479 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.494 ' OD1' ' C ' ' A' ' 24' ' ' GLY . 0.4 OUTLIER -97.84 -12.09 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.957 179.717 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.508 ' C ' ' OD1' ' A' ' 47' ' ' ASN . 9.3 t-20 -144.83 113.81 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.169 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -105.79 138.36 42.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.756 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.574 ' O ' ' OE2' ' A' ' 43' ' ' GLU . 2.5 m -113.43 127.82 56.24 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.1 t -106.68 170.81 7.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.189 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.571 ' O ' ' OG ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -128.63 22.81 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 110.586 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.481 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -123.7 -169.52 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.446 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.4 m-20 -90.7 153.58 20.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.512 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER 35.2 25.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.185 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.644 ' N ' ' O ' ' A' ' 53' ' ' ASP . 24.0 t -104.73 3.73 31.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.526 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.7 p-10 -30.89 -32.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.219 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.641 ' N ' ' O ' ' A' ' 55' ' ' CYS . 5.9 mmtp . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.505 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.45 -177.37 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.668 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.605 ' SG ' ' CG ' ' A' ' 56' ' ' ASN . 0.5 OUTLIER -173.07 171.99 4.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.681 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.814 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 39.3 m-85 -79.12 89.92 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.747 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -96.89 -27.97 14.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.492 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -138.91 44.57 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.519 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.6 2.88 70.59 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.827 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -143.95 126.6 16.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.556 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.814 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 3.5 m -51.85 95.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.377 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.827 HG13 ' O ' ' A' ' 8' ' ' LYS . 31.6 m -112.77 153.88 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.653 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.609 ' O ' HG22 ' A' ' 11' ' ' THR . 6.2 m -75.67 86.29 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.962 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.501 ' O ' ' O ' ' A' ' 11' ' ' THR . 24.3 m -42.91 170.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.063 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -61.77 166.38 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.919 0.39 . . . . 0.0 111.052 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -29.13 70.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.196 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -40.45 97.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.364 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.0 mtt -74.82 113.57 12.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.817 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' C ' ' CG ' ' A' ' 18' ' ' PHE . 4.2 mttt -120.57 17.8 12.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.997 0.427 . . . . 0.0 110.011 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.403 ' CG ' ' C ' ' A' ' 17' ' ' LYS . 43.9 m-85 -152.77 134.44 14.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.268 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 56' ' ' ASN . 23.1 t -99.43 152.99 19.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.66 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 38.5 p90 -141.37 145.73 35.76 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.9 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -114.49 94.03 4.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.892 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -90.09 130.99 36.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.988 0.423 . . . . 0.0 111.151 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.33 -31.17 13.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.283 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.646 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . 60.76 151.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.455 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 1.1 ttt -158.38 54.01 0.69 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.926 0.393 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 25' ' ' MET . 46.4 Cg_endo -72.17 -83.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.762 2.308 . . . . 0.0 112.17 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.94 -93.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.555 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -118.95 -179.95 3.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.542 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' LEU . 13.2 t-20 -47.66 -69.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.522 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 29' ' ' ASN . 2.4 mm? 43.98 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -132.54 57.07 1.81 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 mp -79.08 124.85 28.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.587 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.518 ' C ' HD12 ' A' ' 34' ' ' LEU . 3.6 tt -106.46 126.22 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.513 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 33' ' ' ILE . 6.5 mp -124.0 52.27 1.48 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.347 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.673 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -70.36 140.72 52.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.84 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.66 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . -172.2 176.54 45.2 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 164.5 11.88 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.705 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 t -167.81 141.26 3.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.687 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.401 ' HA ' ' H ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -75.94 -10.73 59.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.469 179.855 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.549 ' O ' ' OG ' ' A' ' 40' ' ' SER . 1.6 t -152.12 56.46 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 42' ' ' SER . 1.9 t -50.41 152.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.775 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.532 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -102.58 88.03 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.392 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.66 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 31.1 tt0 -59.74 121.89 12.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.685 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -151.25 -146.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.514 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -93.61 -39.81 10.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.737 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.646 ' ND2' ' N ' ' A' ' 24' ' ' GLY . 11.2 t30 -92.05 -30.09 16.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.302 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 42' ' ' SER . 4.6 t30 -121.54 112.35 18.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.513 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -103.8 158.08 16.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.699 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.66 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 9.8 m -117.67 137.54 52.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.11 -173.23 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.315 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 m -156.45 26.67 0.34 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.256 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.569 HG22 ' N ' ' A' ' 53' ' ' ASP . 58.0 m -135.9 163.53 30.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.586 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.569 ' N ' HG22 ' A' ' 52' ' ' THR . 0.0 OUTLIER -75.65 135.56 40.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.33 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 66.07 34.64 6.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.475 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.76 -45.77 16.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.337 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.651 HD22 ' N ' ' A' ' 4' ' ' TYR . 51.9 p-10 -77.67 173.03 12.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.542 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.486 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 11' ' ' THR . 2.5 mm? . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 171.08 19.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.535 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 t -166.63 -163.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.276 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.471 ' HD2' HD21 ' A' ' 56' ' ' ASN . 25.3 m-85 -90.66 91.77 8.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.09 0.472 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.406 ' HG3' ' SG ' ' A' ' 12' ' ' CYS . 31.7 tt0 -90.67 -41.12 11.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.795 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -132.41 43.96 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.661 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.59 1.8 72.77 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.582 ' O ' HG22 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -136.93 121.0 17.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.784 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.442 HG23 ' CZ ' ' A' ' 4' ' ' TYR . 93.6 t -44.06 100.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.32 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 8' ' ' LYS . 16.7 m -136.04 157.87 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.819 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 1' ' ' LEU . 26.0 m -76.33 108.85 9.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.606 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.406 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 0.5 OUTLIER -58.55 -163.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.313 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.676 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.8 t-80 -132.15 -147.75 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.713 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 37.45 20.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.272 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.676 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER 55.87 59.55 3.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.304 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.702 ' SD ' ' N ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -64.57 140.6 58.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.421 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.565 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 1.9 tmtt? -120.82 -2.22 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.655 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.702 ' N ' ' SD ' ' A' ' 16' ' ' MET . 54.9 m-85 -149.75 141.05 23.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.975 0.417 . . . . 0.0 111.022 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.475 ' HB3' ' SG ' ' A' ' 50' ' ' CYS . 24.3 t -101.67 153.09 20.08 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.67 ' CE2' ' C ' ' A' ' 36' ' ' GLY . 52.5 p90 -140.6 135.52 31.85 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.936 -0.706 . . . . 0.0 111.764 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.588 ' CG ' ' OD1' ' A' ' 56' ' ' ASN . 6.4 t-160 -103.11 86.42 2.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.849 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -64.94 129.55 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.0 t -138.03 5.25 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.62 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 23' ' ' THR . . . -27.04 146.27 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.7 mmt -121.72 72.94 32.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.75 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.37 -157.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.624 2.216 . . . . 0.0 112.081 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.551 ' O ' ' O ' ' A' ' 28' ' ' ARG . 1.8 m-85 -89.92 157.65 17.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.826 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.551 ' O ' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER 54.17 146.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.815 179.703 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 71.87 161.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.858 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.612 ' H ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -144.06 149.5 36.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.382 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tttp 54.5 80.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.575 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.89 141.46 33.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.728 HD12 ' OE1' ' A' ' 35' ' ' GLN . 3.3 mm -107.85 111.53 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.762 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mt -135.05 38.54 2.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.377 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.728 ' OE1' HD12 ' A' ' 33' ' ' ILE . 5.1 pt20 -72.95 137.82 45.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.62 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.67 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -165.25 -179.45 39.11 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.39 159.91 22.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.772 0.32 . . . . 0.0 110.592 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.515 ' C ' ' H ' ' A' ' 40' ' ' SER . 1.9 t -166.81 146.23 5.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.716 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.507 ' O ' ' OG ' ' A' ' 39' ' ' SER . 1.3 t -73.04 18.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.342 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.515 ' H ' ' C ' ' A' ' 38' ' ' SER . 0.3 OUTLIER -176.64 87.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.488 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.689 ' SG ' ' N ' ' A' ' 42' ' ' SER . 23.4 t -84.85 168.97 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.694 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.689 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 42.1 t -121.84 95.43 4.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.479 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.601 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 0.4 OUTLIER -55.97 95.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.425 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 47' ' ' ASN . 1.0 OUTLIER -147.37 141.93 26.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.709 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -42.48 -24.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.971 0.415 . . . . 0.0 110.208 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -80.63 -42.94 21.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.179 179.587 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.537 ' ND2' ' CD1' ' A' ' 20' ' ' TYR . 4.0 t-20 -136.51 107.86 6.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.392 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -76.79 164.17 26.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.605 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 31.4 m -130.64 135.8 48.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.892 0.377 . . . . 0.0 111.068 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.701 ' SG ' ' N ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -118.22 177.97 4.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.558 179.229 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.701 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 2.9 t -150.02 31.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.555 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 1.8 m -144.47 148.91 35.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.403 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.01 129.12 38.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.478 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 72.17 30.04 2.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.673 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.555 ' SG ' ' O ' ' A' ' 52' ' ' THR . 2.4 p -77.66 -56.83 4.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.519 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.709 ' ND2' ' N ' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -66.52 166.3 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.445 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.709 ' N ' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.491 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 11' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.572 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 3.1 pttt -160.75 163.43 32.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.572 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -168.54 -168.32 0.89 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.087 179.716 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.601 ' CE1' HG23 ' A' ' 9' ' ' VAL . 49.5 m-85 -96.88 93.43 6.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.126 0.489 . . . . 0.0 110.551 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.405 ' O ' ' CD ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -96.18 -24.82 16.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.931 -179.715 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.0 t-80 -142.09 47.79 1.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.603 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.54 -29.57 2.28 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 6' ' ' HIS . 1.5 mttt -108.78 163.93 12.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 0.0 110.614 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.601 HG23 ' CE1' ' A' ' 4' ' ' TYR . 68.0 t -78.38 101.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.65 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.51 155.94 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.339 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.553 ' O ' HG22 ' A' ' 11' ' ' THR . 15.9 m -95.52 88.35 5.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.387 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.6 m -56.59 164.83 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.589 ' C ' ' H ' ' A' ' 15' ' ' ASP . 1.4 t-80 -174.46 -147.31 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.861 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.56 ' O ' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER 61.55 -6.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.342 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.589 ' H ' ' C ' ' A' ' 13' ' ' HIS . 1.5 m-20 156.56 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.454 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.0 mtt -59.38 113.2 2.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.647 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -119.46 -3.91 10.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.639 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -133.02 141.87 48.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 50' ' ' CYS . 14.1 m -100.26 130.95 46.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.651 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 8.7 p90 -109.85 153.97 23.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.116 0.484 . . . . 0.0 111.321 -179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.644 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 4.7 t60 -120.51 81.66 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.933 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 30.0 t-20 -78.61 125.53 29.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.297 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.516 ' O ' ' O ' ' A' ' 24' ' ' GLY . 2.1 p -100.03 -20.59 15.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.202 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.794 ' H ' HD21 ' A' ' 46' ' ' ASN . . . 48.65 172.72 0.01 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.4 ' N ' ' HD3' ' A' ' 26' ' ' PRO . 11.0 ttp -175.01 58.97 0.2 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.856 0.36 . . . . 0.0 110.628 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 25' ' ' MET . 61.3 Cg_endo -77.6 -40.0 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.888 2.392 . . . . 0.0 112.341 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -134.42 167.4 20.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.792 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -73.02 117.63 14.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.304 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.539 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.7 OUTLIER 46.56 58.43 4.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.324 -179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.567 ' O ' ' O ' ' A' ' 31' ' ' LYS . 5.1 tp -156.85 132.33 9.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.637 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.853 ' C ' HD23 ' A' ' 32' ' ' LEU . 2.9 mtmt 44.96 106.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.514 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.853 HD23 ' C ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -147.64 -170.58 3.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.789 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.614 ' O ' ' O ' ' A' ' 32' ' ' LEU . 1.1 mp 45.92 116.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -137.08 26.85 2.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.241 179.666 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.442 ' OE1' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -35.95 129.49 0.65 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.718 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.487 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -165.28 -175.12 35.62 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.19 163.07 13.1 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.822 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 t -173.77 153.25 2.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.447 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.74 -85.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.571 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' CYS . 2.7 m -74.41 45.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.434 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' SER . 49.9 t -40.02 145.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.255 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.577 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.7 OUTLIER -107.37 81.31 1.51 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.811 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.753 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -46.77 115.96 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.335 179.642 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.625 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -146.73 -173.79 4.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.554 -179.834 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.26 -44.35 72.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.364 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.794 HD21 ' H ' ' A' ' 24' ' ' GLY . 6.8 t30 -88.39 -36.3 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.538 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.625 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.2 t-20 -119.55 101.7 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.615 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -86.25 -171.61 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.884 -179.787 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.753 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 45.1 m -154.79 126.79 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.217 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' CYS . 17.0 p -145.49 174.51 11.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 0.0 110.865 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.09 25.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.331 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.86 22.77 9.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.702 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER 66.26 144.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.704 179.809 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER 34.22 25.31 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.355 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.669 ' N ' ' O ' ' A' ' 53' ' ' ASP . 11.4 p -91.3 -5.43 54.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.697 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.644 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 1.9 p-10 -62.97 10.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.397 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.614 ' H ' ' C ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.536 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.593 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -160.58 157.43 27.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.593 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 72.4 m -156.51 -174.1 4.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 110.805 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.474 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 58.2 m-85 -79.96 91.28 5.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.253 0.549 . . . . 0.0 110.406 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.4 ' HB3' ' CG2' ' A' ' 10' ' ' VAL . 1.6 tt0 -102.64 -16.06 16.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.084 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -150.62 35.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.756 0.312 . . . . 0.0 110.594 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.99 -26.22 13.83 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.68 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -122.19 138.43 54.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.738 0.304 . . . . 0.0 110.496 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.474 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -52.77 98.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.518 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 8' ' ' LYS . 35.5 m -118.28 152.35 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.6 m -79.0 119.05 21.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.502 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.7 m -65.98 -149.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.608 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -78.41 -175.96 4.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -91.99 9.24 33.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.597 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -115.78 -41.16 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.614 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.8 mpt? -60.2 135.58 57.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -132.85 -3.57 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.808 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -125.98 134.5 51.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.603 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.625 ' O ' ' N ' ' A' ' 50' ' ' CYS . 78.1 m -101.66 140.21 36.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.776 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.521 ' CA ' HD21 ' A' ' 56' ' ' ASN . 33.6 p90 -128.6 146.76 50.76 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.224 -0.591 . . . . 0.0 111.539 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -114.47 90.15 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.805 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -83.42 125.28 31.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.401 . . . . 0.0 111.052 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -102.18 -17.72 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.257 179.67 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.523 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . 48.94 -88.06 0.01 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.522 ' N ' ' O ' ' A' ' 23' ' ' THR . 4.8 mmt -117.31 144.32 33.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.445 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.491 ' O ' ' C ' ' A' ' 27' ' ' PHE . 37.9 Cg_endo -68.53 120.83 7.75 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.658 2.238 . . . . 0.0 112.181 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' A' ' 26' ' ' PRO . 24.7 m-85 -32.16 98.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.641 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.1 OUTLIER -118.23 -33.05 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.46 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -164.4 22.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.54 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -175.22 179.75 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.567 ' C ' ' H ' ' A' ' 33' ' ' ILE . 12.6 mmtm -123.16 76.37 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.53 32.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.781 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.567 ' H ' ' C ' ' A' ' 31' ' ' LYS . 1.2 tp -45.91 128.79 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.298 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt -139.37 25.55 2.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.959 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -66.29 132.57 48.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.298 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.52 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -167.27 -154.28 8.43 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.61 166.53 15.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.04 0.447 . . . . 0.0 110.951 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.8 t -158.66 170.68 21.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.459 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.19 -17.98 17.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.406 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 41' ' ' CYS . 61.2 m -145.49 44.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.43 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 48' ' ' LYS . 43.5 t -33.72 139.89 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.679 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.545 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.6 OUTLIER -107.04 76.26 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.511 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.773 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 1.4 tt0 -37.18 126.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.736 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.674 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -159.05 174.01 15.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.448 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.23 -38.21 88.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.591 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 24' ' ' GLY . 4.0 t-20 -89.67 -35.61 15.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.538 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.674 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.2 t30 -126.04 106.94 9.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.458 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 8.2 mtpp -87.73 -169.11 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.941 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.773 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 64.4 m -147.86 137.24 22.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.51 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.625 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -118.67 -167.58 1.4 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.524 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.477 ' O ' HG22 ' A' ' 52' ' ' THR . 16.7 m -131.28 32.29 4.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.523 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER 77.69 164.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.163 179.53 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.661 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER 81.33 63.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.572 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' ASP . 1.0 OUTLIER 37.23 21.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.345 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.661 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.8 t -61.73 -18.73 60.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.729 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.521 HD21 ' CA ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -65.59 10.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.334 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.552 ' H ' ' C ' ' A' ' 55' ' ' CYS . 7.2 ptmt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.666 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.573 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -151.52 161.27 42.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.726 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.573 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -165.55 -172.95 2.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.575 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.738 ' N ' HD22 ' A' ' 56' ' ' ASN . 27.9 m-85 -90.99 94.12 9.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.022 0.439 . . . . 0.0 110.214 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -90.86 -41.2 11.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.185 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -127.91 47.46 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.991 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.04 -1.47 59.36 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' O ' HG13 ' A' ' 10' ' ' VAL . 3.3 mttt -133.48 158.38 43.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.778 0.323 . . . . 0.0 110.335 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.3 t -74.78 103.82 2.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.373 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -111.68 146.4 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.817 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 11' ' ' THR . 10.2 t -97.35 98.62 10.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.407 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -174.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -57.83 170.2 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.696 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -21.15 63.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.605 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -75.28 -63.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.571 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.3 mtt -45.71 116.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.721 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -121.92 1.01 9.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.315 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -128.29 136.26 50.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.8 m -101.79 132.79 47.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.65 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.667 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 31.9 p90 -117.22 150.62 38.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.352 0.596 . . . . 0.0 111.826 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.407 ' CD2' ' HB3' ' A' ' 35' ' ' GLN . 2.8 t-160 -125.4 106.1 9.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.793 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.563 ' OD1' ' OD1' ' A' ' 46' ' ' ASN . 0.7 OUTLIER -84.2 131.83 34.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.906 0.384 . . . . 0.0 110.739 -179.524 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p -107.73 -16.64 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.334 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.465 ' HA2' HD21 ' A' ' 46' ' ' ASN . . . 66.43 -163.28 43.04 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.581 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -117.81 95.9 48.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.587 0.232 . . . . 0.0 110.618 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -47.11 78.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.704 2.269 . . . . 0.0 112.303 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.581 ' N ' ' O ' ' A' ' 25' ' ' MET . 0.5 OUTLIER -129.47 -86.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.326 179.804 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 29' ' ' ASN . 3.9 ptp180 -99.74 117.09 33.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.227 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.459 ' O ' ' O ' ' A' ' 28' ' ' ARG . 7.3 t30 48.69 179.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.249 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.1 mt -122.44 136.92 55.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.886 0.374 . . . . 0.0 110.631 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.509 ' O ' ' O ' ' A' ' 32' ' ' LEU . 12.9 mttp -84.74 44.09 1.03 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.77 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.509 ' O ' ' O ' ' A' ' 31' ' ' LYS . 25.1 mt 42.42 -171.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.683 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 33' ' ' ILE . 3.0 tp -72.51 128.78 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.373 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.44 52.43 1.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.675 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.424 ' NE2' HG12 ' A' ' 33' ' ' ILE . 18.2 pt20 -100.58 135.2 42.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.493 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.667 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . -168.87 -171.64 34.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.08 159.82 15.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.877 0.37 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 t -170.83 127.42 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -73.5 160.44 31.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.33 179.624 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' SER . 43.9 t 37.98 47.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.185 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.6 t -66.83 142.99 57.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.782 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.644 ' O ' HG23 ' A' ' 44' ' ' THR . 0.6 OUTLIER -106.39 87.25 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.553 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -41.5 121.63 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.625 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 42' ' ' SER . 16.6 p -132.74 179.92 5.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.353 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.64 -36.6 65.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.527 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.564 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 19.2 t-20 -88.79 -37.34 15.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.296 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.411 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.2 OUTLIER -122.35 109.05 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.153 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -99.72 156.56 17.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 m -123.17 135.05 54.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.036 0.446 . . . . 0.0 111.138 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.11 172.06 7.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.392 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.9 p -138.0 22.52 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.67 156.8 42.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.331 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.549 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -73.84 142.05 46.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.399 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.55 40.13 29.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 t -84.45 -26.27 28.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.738 HD22 ' N ' ' A' ' 4' ' ' TYR . 30.7 p-10 -94.79 86.03 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.756 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.606 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.528 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -169.7 159.02 7.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.363 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -165.65 -162.24 0.56 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.402 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.541 ' HB3' HE22 ' A' ' 35' ' ' GLN . 46.2 m-85 -92.96 94.76 9.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.142 0.496 . . . . 0.0 110.472 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.425 HE21 ' HA ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -105.77 -24.37 12.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.761 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.406 ' NE2' ' OE1' ' A' ' 5' ' ' GLN . 15.7 m-70 -134.0 35.65 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.462 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.28 -13.66 32.24 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -129.09 143.52 50.89 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 179.71 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.486 ' H ' HG23 ' A' ' 9' ' ' VAL . 2.2 t -56.09 101.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.512 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 8' ' ' LYS . 35.6 m -131.32 157.78 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.37 106.23 10.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.371 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' HE21 ' A' ' 5' ' ' GLN . 0.0 OUTLIER -59.57 -159.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.846 -179.742 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -43.05 154.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.699 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.2 mtt85 -82.66 41.83 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.439 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -158.47 -3.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.073 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.618 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -74.36 138.02 43.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.606 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.652 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 4.0 mtpm? -125.33 6.62 7.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.652 ' CD1' ' C ' ' A' ' 17' ' ' LYS . 71.7 m-85 -156.83 138.6 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.788 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.461 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 56.9 m -103.21 140.77 36.93 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.609 ' CD1' ' OD1' ' A' ' 47' ' ' ASN . 10.8 p90 -136.13 148.54 48.27 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.574 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.526 ' CG ' ' OD1' ' A' ' 56' ' ' ASN . 3.3 t-160 -111.37 99.22 8.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.16 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.436 ' OD1' ' OD1' ' A' ' 46' ' ' ASN . 14.7 t30 -80.06 135.64 36.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.786 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.404 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 23.2 p -109.32 -22.11 12.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.299 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . 63.36 110.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.571 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -95.66 -46.24 0.26 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.832 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 25' ' ' MET . 52.9 Cg_exo -49.21 118.28 3.47 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.674 2.249 . . . . 0.0 112.242 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 67.87 179.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.67 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 30' ' ' LEU . 1.4 mpt_? -104.09 -63.98 1.15 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 30' ' ' LEU . 5.6 m-80 38.98 30.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.643 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 28' ' ' ARG . 2.4 tp 76.12 -162.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.497 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -109.04 57.56 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.511 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mp -58.11 124.93 21.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.728 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.526 HD11 ' NE2' ' A' ' 21' ' ' HIS . 1.7 tp -78.24 130.95 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt -131.41 45.34 2.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.663 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.621 ' CB ' HD22 ' A' ' 56' ' ' ASN . 2.9 pt20 -73.41 126.08 29.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.524 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.482 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -157.36 167.08 33.91 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -111.25 170.97 7.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.975 0.416 . . . . 0.0 110.769 -179.832 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.95 171.33 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.753 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 t -84.07 -42.57 15.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.547 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.0 t -120.82 85.31 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.4 t -86.0 136.74 33.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.39 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.79 94.09 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 6.2 mp0 -43.81 138.26 2.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.533 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.629 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -168.11 145.56 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.915 0.388 . . . . 0.0 110.655 179.777 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -44.14 -20.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.526 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 32.2 t-20 -95.81 -35.98 11.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.198 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.629 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -133.37 120.64 21.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.078 179.717 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -111.23 134.94 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.636 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.459 ' SG ' ' HG3' ' A' ' 43' ' ' GLU . 1.8 m -103.42 140.91 36.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.969 0.414 . . . . 0.0 111.042 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 p -141.13 130.66 23.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.512 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.18 40.5 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.661 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.482 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.63 22.55 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.524 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.693 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER 56.2 152.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.651 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' A' ' 53' ' ' ASP . 7.1 ptp180 30.48 29.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.818 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.693 ' N ' ' O ' ' A' ' 53' ' ' ASP . 29.9 p -70.56 -40.92 73.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.014 0.435 . . . . 0.0 110.418 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.621 HD22 ' CB ' ' A' ' 35' ' ' GLN . 47.6 t-20 -69.34 53.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.793 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' CYS . 16.1 ptpt . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.526 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.3 tp . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.669 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -158.02 152.99 25.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.237 179.647 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.669 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 36.2 m -158.2 -161.8 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.057 0.455 . . . . 0.0 111.166 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -88.4 91.0 8.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.517 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.443 ' HG3' ' SG ' ' A' ' 37' ' ' CYS . 3.3 tt0 -91.74 -38.06 12.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.69 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -130.63 46.02 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.484 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.1 0.81 61.73 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' O ' HG22 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -136.18 143.77 44.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.31 . . . . 0.0 110.508 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.406 HG21 ' NE ' ' A' ' 54' ' ' ARG . 51.9 t -63.54 100.16 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.649 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 8' ' ' LYS . 21.5 m -137.87 158.07 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.2 m -73.42 126.62 30.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.553 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.7 m -73.54 -174.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.506 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.444 ' CB ' ' SD ' ' A' ' 16' ' ' MET . 0.7 OUTLIER -67.07 163.77 19.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.576 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -65.13 -31.56 72.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.01 -36.99 80.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.444 ' SD ' ' CB ' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -72.14 130.88 41.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.823 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -126.76 -8.25 6.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.649 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -129.39 137.86 51.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.7 m -98.03 148.83 23.11 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.621 ' CE2' ' C ' ' A' ' 36' ' ' GLY . 27.7 p90 -138.1 148.93 45.48 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.479 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.769 ' ND1' ' ND2' ' A' ' 56' ' ' ASN . 3.5 t-160 -126.03 120.1 29.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.463 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -108.17 128.72 54.95 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.282 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -110.12 -13.65 14.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.344 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -86.5 -145.91 9.34 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 24' ' ' GLY . 23.6 mtp 35.64 65.06 1.99 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.665 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -66.84 61.65 0.58 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.773 2.315 . . . . 0.0 112.138 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -79.28 -13.01 59.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.554 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 mtp85 -102.01 -177.39 3.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -123.59 -14.79 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.623 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 31' ' ' LYS . 27.1 tp -149.33 154.3 38.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.646 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.644 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER 35.82 51.76 0.74 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.463 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.631 ' H ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -40.92 84.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.724 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.725 HG23 ' O ' ' A' ' 33' ' ' ILE . 2.6 tp -96.75 99.31 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.344 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.577 ' N ' ' OE1' ' A' ' 35' ' ' GLN . 4.5 mp -125.0 21.53 8.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.534 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.577 ' OE1' ' N ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -85.14 138.07 32.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.84 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.621 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -159.74 -161.09 10.98 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.443 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -120.53 164.62 16.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.499 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.6 t -166.18 150.66 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -34.06 43.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.399 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.483 ' O ' ' OG ' ' A' ' 40' ' ' SER . 10.0 p -128.53 62.89 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 48.6 t -62.09 151.46 35.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.685 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.03 89.68 3.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.579 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -51.88 108.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.51 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 p -134.16 -171.35 2.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.507 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -80.57 -34.48 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.34 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 5.3 t30 -85.05 -41.25 15.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.133 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.542 ' C ' ' OD1' ' A' ' 47' ' ' ASN . 2.4 t30 -121.02 114.85 22.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.484 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.65 163.75 13.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.746 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 m -139.35 124.27 18.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.41 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 p -122.61 -170.37 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.501 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.23 27.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.965 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.541 HG22 ' N ' ' A' ' 53' ' ' ASP . 99.3 m -128.39 161.36 29.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 110.684 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.541 ' N ' HG22 ' A' ' 52' ' ' THR . 3.8 t70 -60.09 136.7 58.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.641 -179.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' NE ' HG21 ' A' ' 9' ' ' VAL . 13.2 ttm180 43.81 44.51 5.72 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.343 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' A' ' 57' ' ' LYS . 27.1 p -89.78 -24.62 21.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.697 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.769 ' ND2' ' ND1' ' A' ' 21' ' ' HIS . 2.2 p-10 -29.63 -37.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.64 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.556 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.545 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.886 0.374 . . . . 0.0 110.582 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.545 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 7.5 m -165.75 -167.07 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.207 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.537 ' O ' ' OE1' ' A' ' 35' ' ' GLN . 32.5 m-85 -92.27 91.1 7.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.08 0.467 . . . . 0.0 110.31 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -94.78 -38.66 10.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.591 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -128.69 41.06 3.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.446 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.61 -3.01 44.91 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.762 ' O ' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -130.9 119.82 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 110.519 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.519 HG23 ' CZ ' ' A' ' 4' ' ' TYR . 94.9 t -43.2 95.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.199 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 8' ' ' LYS . 6.0 m -129.76 160.83 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.951 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 m -80.22 110.89 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.18 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -58.0 -156.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.773 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.576 ' CG ' ' H ' ' A' ' 14' ' ' ARG . 4.7 t-160 -143.51 -145.08 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.576 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 29.8 mtm-85 41.13 21.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.363 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' HIS . 15.9 t0 58.58 60.4 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.624 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -80.41 139.2 36.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.643 -179.687 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' SD ' ' A' ' 16' ' ' MET . 38.4 tttm -127.21 -3.84 6.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.183 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.518 ' N ' ' SD ' ' A' ' 16' ' ' MET . 57.4 m-85 -141.23 139.25 33.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.686 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' CYS . 64.4 m -104.01 138.32 40.72 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.685 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 35.0 p90 -124.71 145.08 49.88 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.465 -179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -114.14 74.76 0.89 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.26 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -69.03 122.49 18.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.694 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 24' ' ' GLY . 67.4 p -111.1 -10.63 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.458 ' HA2' HD21 ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.526 0.742 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.818 0.342 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.571 ' NE2' ' O ' ' A' ' 20' ' ' TYR . 1.8 tm0? -79.81 132.44 36.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.543 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.685 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -165.95 164.35 37.39 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.32 163.29 12.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.0 157.18 23.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.757 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t -69.02 -43.45 74.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.27 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -128.76 92.43 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.289 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.48 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 49.7 t -73.8 158.75 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 37.9 t -117.93 83.7 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.279 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.708 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 70.4 tt0 -50.23 111.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 42' ' ' SER . 0.2 OUTLIER -135.92 -167.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.47 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 45' ' ' GLU . 4.4 mm-40 -79.48 -41.12 28.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.397 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.458 HD21 ' HA2' ' A' ' 24' ' ' GLY . 3.7 t-20 -93.14 -30.33 15.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.363 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.605 ' ND2' ' O ' ' A' ' 42' ' ' SER . 2.8 t30 -117.95 98.16 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.505 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.27 176.31 9.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.592 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.708 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 61.9 m -140.22 135.2 32.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.939 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' CYS . 1.2 m -113.55 177.72 4.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.977 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.0 t -152.33 29.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.4 m -143.41 153.24 42.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.452 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' HB2' ' HZ2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -68.69 129.4 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.23 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 70.35 30.67 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.28 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.0 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.294 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.614 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.766 0.317 . . . . 0.0 110.396 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.614 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 78.8 m -157.58 -162.31 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.648 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -98.23 92.59 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.416 ' H ' HG23 ' A' ' 10' ' ' VAL . 31.0 tt0 -84.37 -43.48 14.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.531 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -127.39 48.27 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.247 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.89 -13.4 8.88 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 161.05 20.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.683 0.278 . . . . 0.0 110.406 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.1 t -73.47 104.92 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.672 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.416 HG23 ' H ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -127.9 154.98 39.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.384 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -84.57 101.5 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.524 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.1 m -50.95 149.75 3.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.433 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.01 164.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -68.44 -16.98 64.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.663 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -79.35 -41.96 26.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.5 mtt -69.1 125.86 28.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.652 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 38.3 mttt -122.76 8.9 9.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.385 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 42.2 m-85 -148.77 135.16 19.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.989 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.2 m -99.0 140.95 32.38 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.687 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 19.3 p90 -126.04 148.29 49.35 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.78 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.537 ' C ' ' ND1' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -113.62 95.47 5.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.717 179.583 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.432 ' ND2' ' N ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -87.97 135.61 33.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 -179.178 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.52 -21.64 12.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.022 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.869 0.366 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -53.64 134.48 41.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.687 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -163.88 178.71 39.21 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.97 160.1 16.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 t -160.73 148.56 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.589 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -10.18 57.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.493 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.59 56.98 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.55 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 43.9 t -71.71 117.48 13.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.454 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 43' ' ' GLU . 1.4 p -90.4 93.72 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 42' ' ' SER . 3.2 mm-40 -34.28 121.63 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.551 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.59 ' N ' ' O ' ' A' ' 47' ' ' ASN . 1.3 p -150.4 151.91 33.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.465 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.49 -33.42 54.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 4.5 t-20 -90.58 -10.56 42.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.223 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 44' ' ' THR . 11.6 t-20 -156.24 110.46 2.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.661 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -101.6 160.32 14.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.606 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.438 ' SG ' ' HG2' ' A' ' 43' ' ' GLU . 2.3 m -123.61 140.46 52.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.787 0.327 . . . . 0.0 110.71 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.2 p -141.03 154.31 45.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.562 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.21 33.54 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.377 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.567 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -110.23 22.09 15.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.558 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.666 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER 52.13 156.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.565 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.483 ' C ' ' O ' ' A' ' 53' ' ' ASP . 2.2 ttt180 34.08 25.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.666 ' N ' ' O ' ' A' ' 53' ' ' ASP . 6.2 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.549 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.678 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.678 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 77.3 m -162.34 -169.47 2.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.631 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 41.8 m-85 -89.78 89.54 7.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.167 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -96.79 -24.64 15.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.649 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -138.17 42.54 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.526 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.95 -12.95 9.71 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.762 ' O ' HG22 ' A' ' 10' ' ' VAL . 3.3 mtmm -128.41 139.73 52.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 110.367 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.582 HG23 ' CE1' ' A' ' 4' ' ' TYR . 61.5 t -56.71 100.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 8' ' ' LYS . 2.5 m -131.23 145.15 35.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.815 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.8 m -70.67 118.94 14.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.14 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -158.67 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.749 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.633 ' CG ' ' H ' ' A' ' 14' ' ' ARG . 7.2 t-80 -134.94 -144.53 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.709 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.633 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 29.6 ttt-85 41.28 23.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.296 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.8 OUTLIER 53.97 45.4 27.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.154 -179.792 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.629 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -57.34 136.88 56.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.605 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' H ' ' HA ' ' A' ' 39' ' ' SER . 41.1 mmtt -115.79 -3.48 12.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.478 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.615 ' N ' ' SD ' ' A' ' 16' ' ' MET . 97.7 m-85 -153.52 151.09 29.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.966 0.412 . . . . 0.0 111.072 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.479 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 96.3 m -108.3 145.66 34.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.773 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.684 ' CE2' ' O ' ' A' ' 36' ' ' GLY . 25.1 p90 -131.82 140.88 49.29 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.397 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -111.02 84.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.078 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.587 HD22 ' C ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -75.24 118.79 18.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.523 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.0 p -96.2 -20.98 18.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.351 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.499 ' N ' ' ND2' ' A' ' 22' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.896 0.379 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.631 ' NE2' ' O ' ' A' ' 4' ' ' TYR . 0.7 OUTLIER -83.74 139.76 32.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.076 -179.559 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.684 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -171.81 153.73 20.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.5 165.97 10.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.901 0.382 . . . . 0.0 111.203 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.9 t -168.14 159.93 11.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.591 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.457 ' HA ' ' H ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -79.13 -31.04 43.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.26 87.76 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.5 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 42' ' ' SER . 36.1 t -87.49 160.67 18.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.737 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.523 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 0.2 OUTLIER -116.79 92.33 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.586 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 43.7 mt-10 -51.76 106.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.479 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' ASN . 9.8 p -141.3 157.66 44.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.534 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -33.46 23.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.766 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.474 ' OD1' ' O ' ' A' ' 24' ' ' GLY . 2.5 t-20 -88.6 -38.71 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.669 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 42' ' ' SER . 1.1 t30 -128.09 105.73 8.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.489 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 2.0 mmmt -92.98 172.14 8.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.733 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 2.2 m -139.83 130.54 25.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.069 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -124.99 166.82 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.155 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.53 42.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.604 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.504 ' O ' ' O ' ' A' ' 53' ' ' ASP . 4.6 m -127.49 25.33 6.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.619 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 55' ' ' CYS . 4.7 m-20 54.6 154.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.417 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.531 ' C ' ' O ' ' A' ' 53' ' ' ASP . 1.4 ptt180 30.79 30.89 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.206 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.673 ' N ' ' O ' ' A' ' 53' ' ' ASP . 4.5 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.505 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.66 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.74 0.305 . . . . 0.0 110.395 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 35.2 m -165.82 178.69 6.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.499 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.499 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 54.5 m-85 -81.35 89.58 6.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.414 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.449 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 1.3 tm0? -96.45 -26.63 15.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.837 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -136.68 36.2 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.384 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.15 -6.69 82.87 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.47 ' O ' HG13 ' A' ' 10' ' ' VAL . 9.8 mtmt -139.54 145.92 39.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.322 . . . . 0.0 110.484 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.454 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 2.3 m -57.28 92.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.514 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 8' ' ' LYS . 34.5 m -117.03 142.45 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.804 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 11' ' ' THR . 7.9 t -62.93 112.09 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.484 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 76.4 m -61.41 -174.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.573 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 15' ' ' ASP . 3.0 m80 -65.07 133.87 52.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -41.37 -27.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.433 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -74.56 -53.63 9.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.554 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -63.14 135.33 57.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.299 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -130.83 -8.23 3.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 18.3 m-85 -119.17 140.98 49.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.3 m -99.76 139.17 35.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.59 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.615 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 26.6 p90 -124.1 145.9 48.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.463 0.649 . . . . 0.0 112.038 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -117.83 90.46 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.566 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -77.37 110.26 11.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -10.86 44.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.198 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.577 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.893 0.378 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -83.06 127.34 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 -179.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.615 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -158.43 -171.54 24.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.449 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -107.46 164.32 12.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.753 0.311 . . . . 0.0 110.523 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.79 130.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.743 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' ' C ' ' A' ' 40' ' ' SER . 0.8 OUTLIER -71.52 143.12 50.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.484 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 39' ' ' SER . 14.2 t 33.9 52.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.33 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 42' ' ' SER . 50.6 t -49.68 173.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.826 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.609 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 7.3 t -129.55 81.55 2.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.566 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 42' ' ' SER . 8.2 tm-20 -31.27 120.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.69 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.452 ' HB ' ' H ' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -131.23 176.22 8.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.42 179.817 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.96 -24.09 60.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.573 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.577 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 4.7 t-20 -112.49 -27.49 8.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.517 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.452 ' H ' ' HB ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -118.52 95.93 5.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.575 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -87.77 161.67 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.456 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.35 130.46 17.4 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.068 0.461 . . . . 0.0 111.333 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -110.94 -172.02 1.95 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.052 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 p -140.95 31.34 1.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.509 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.624 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -126.38 -171.55 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.459 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.624 ' H ' HG22 ' A' ' 52' ' ' THR . 0.0 OUTLIER -96.88 151.43 19.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.593 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 53' ' ' ASP . 7.0 ptt-85 33.4 39.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' ASP . 9.4 p . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.435 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.009 0.433 . . . . 0.0 110.924 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -154.25 -160.97 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.911 179.434 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.538 ' CE1' HG23 ' A' ' 9' ' ' VAL . 38.0 m-85 -97.89 93.76 6.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.279 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -95.02 -38.8 10.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.186 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.34 43.54 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.658 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.9 -13.03 20.77 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.563 ' O ' HG13 ' A' ' 10' ' ' VAL . 3.6 mmmt -124.78 154.61 40.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 0.0 110.351 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.538 HG23 ' CE1' ' A' ' 4' ' ' TYR . 64.1 t -69.06 103.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.439 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 8' ' ' LYS . 2.2 m -125.18 153.57 32.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.63 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 11' ' ' THR . 2.2 t -80.57 107.49 13.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.764 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 11.2 m -63.58 158.86 20.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.068 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.32 174.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.989 0.423 . . . . 0.0 111.002 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.0 ttp85 -67.67 -41.84 83.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.561 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.611 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -52.27 -53.73 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.344 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.442 ' SD ' ' HB3' ' A' ' 12' ' ' CYS . 2.3 mtt -58.2 127.18 30.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . 8.2 mttt -128.64 -1.65 5.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.632 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.481 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 71.5 m-85 -140.22 139.75 35.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.126 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 m -100.73 137.3 39.31 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.656 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 40.5 p90 -121.01 145.01 48.22 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.829 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -119.52 111.19 17.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.746 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -79.71 144.26 33.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.055 0.455 . . . . 0.0 111.336 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.3 -22.5 6.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.102 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.502 ' CA ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.526 0.742 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.024 0.44 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -104.78 134.02 48.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.661 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.656 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -171.0 177.76 43.8 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.71 163.03 12.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.802 0.334 . . . . 0.0 110.3 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.68 161.13 13.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.643 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.22 -72.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.397 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.3 p -83.77 55.91 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.329 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 18.4 t -50.47 146.18 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.801 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.63 83.04 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.459 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.562 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 16.7 tt0 -51.31 113.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.588 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 p -150.8 156.73 41.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.454 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 46' ' ' ASN . 10.8 pt-20 -49.66 -40.78 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.497 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.502 ' OD1' ' CA ' ' A' ' 24' ' ' GLY . 23.0 t30 -71.25 -44.25 65.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.157 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.462 HD21 ' HB2' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -132.56 111.41 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.287 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -81.27 175.53 10.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.923 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.562 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 80.9 m -142.46 128.52 19.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.336 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.75 169.78 12.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.426 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.22 28.81 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.481 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.78 163.15 19.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.457 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -77.21 123.12 26.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.873 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 66.61 28.45 9.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.857 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.328 -0.337 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.269 179.78 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 pttt . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.888 0.375 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.83 160.16 43.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.202 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.606 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 37.7 m-85 -68.32 86.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.166 0.508 . . . . 0.0 110.892 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.603 ' NE2' ' CE1' ' A' ' 6' ' ' HIS . 0.3 OUTLIER -80.75 -55.1 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.15 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.603 ' CE1' ' NE2' ' A' ' 5' ' ' GLN . 1.5 m-70 -114.77 50.49 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.155 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.15 8.17 58.18 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.421 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -142.1 123.74 15.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.464 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.606 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -50.57 93.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.6 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 8' ' ' LYS . 12.0 m -115.92 142.71 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.755 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -68.29 121.01 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.503 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.549 ' O ' ' O ' ' A' ' 13' ' ' HIS . 60.6 m -73.65 -174.73 1.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.715 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.727 ' ND1' ' SD ' ' A' ' 16' ' ' MET . 2.7 m80 -51.09 -162.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -93.68 -32.66 13.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.408 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -81.4 -49.1 11.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.727 ' SD ' ' ND1' ' A' ' 13' ' ' HIS . 9.4 mtt -49.47 104.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.536 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -115.22 4.19 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.149 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.542 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 6.7 m-85 -130.05 133.74 46.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.784 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.5 m -99.49 134.05 42.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.655 ' CE2' ' C ' ' A' ' 36' ' ' GLY . 30.8 p90 -115.75 145.83 42.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.357 0.599 . . . . 0.0 111.571 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.663 ' N ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -113.82 109.89 19.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.672 179.4 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 23' ' ' THR . 27.6 t-20 -101.2 127.65 47.67 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.178 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.581 ' O ' ' O ' ' A' ' 24' ' ' GLY . 1.2 t -140.03 15.8 2.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.368 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.581 ' O ' ' O ' ' A' ' 23' ' ' THR . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.788 0.328 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 4' ' ' TYR . 6.3 pt20 -68.66 135.21 51.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.563 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.655 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -162.7 -176.99 35.34 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.94 162.38 13.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.389 . . . . 0.0 110.748 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 t -163.97 145.29 8.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.496 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -55.52 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.651 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.521 ' O ' ' OG ' ' A' ' 40' ' ' SER . 2.7 p -107.86 58.82 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.628 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 42.6 t -56.24 122.89 12.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.647 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.582 ' O ' ' OG1' ' A' ' 44' ' ' THR . 43.8 t -97.59 82.31 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.373 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.691 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 68.0 tt0 -36.03 131.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.667 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -159.69 151.58 20.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.449 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -41.99 -40.6 2.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.635 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.509 ' C ' ' OD1' ' A' ' 46' ' ' ASN . 14.1 t-20 -79.6 -46.56 17.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.381 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.667 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -125.16 112.95 17.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.464 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -86.8 -167.93 2.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.509 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.691 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 59.1 m -153.67 126.67 8.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.792 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -118.13 168.52 10.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.101 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 p -154.82 33.76 0.4 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.568 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -132.48 24.04 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.587 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER 49.79 164.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.518 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 53' ' ' ASP . 10.8 ttt180 37.27 20.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.979 0.418 . . . . 0.0 110.29 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.673 ' N ' ' O ' ' A' ' 53' ' ' ASP . 6.4 t . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.424 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.992 0.425 . . . . 0.0 110.952 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.424 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -160.93 -178.2 6.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.038 179.668 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.557 ' CZ ' HG22 ' A' ' 9' ' ' VAL . 41.2 m-85 -100.42 95.52 6.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.096 0.474 . . . . 0.0 110.788 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.507 ' HB2' HG21 ' A' ' 10' ' ' VAL . 22.3 tt0 -91.61 -45.36 8.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.717 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.49 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.6 t60 -124.87 51.53 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.626 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.64 -35.37 1.19 Allowed Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 6' ' ' HIS . 1.1 mttm -89.71 176.6 6.79 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.557 HG22 ' CZ ' ' A' ' 4' ' ' TYR . 17.3 t -95.98 107.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.527 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 5' ' ' GLN . 16.9 m -98.12 144.91 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.555 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.774 ' O ' HG22 ' A' ' 11' ' ' THR . 20.3 m -99.45 67.97 1.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -45.12 124.42 4.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.199 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.797 ' CD2' ' H ' ' A' ' 14' ' ' ARG . 40.5 t60 -152.58 -159.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.796 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.797 ' H ' ' CD2' ' A' ' 13' ' ' HIS . 0.4 OUTLIER 60.84 -3.48 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.562 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.549 ' H ' ' C ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER 173.34 -51.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.361 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.4 mtt -60.27 125.08 22.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.437 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.43 -8.6 5.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.718 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -134.75 140.21 45.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.193 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 38.8 m -99.62 141.2 32.73 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 5.0 p90 -127.57 159.93 33.12 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.844 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -137.15 98.22 3.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.732 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.456 ' OD1' ' C ' ' A' ' 22' ' ' ASN . 1.2 t-20 -84.27 109.26 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 0.0 110.714 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' GLY . 14.6 p -112.36 13.57 20.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.298 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.671 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.898 0.38 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -125.33 130.09 51.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.587 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.61 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -164.8 -177.66 37.55 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.22 163.54 12.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.938 0.399 . . . . 0.0 110.787 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -164.4 140.58 6.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.623 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -39.37 80.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.486 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -125.98 82.52 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.562 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.2 t -80.99 156.81 25.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.403 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.565 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -114.14 84.11 1.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.644 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' SER . 4.9 tm-20 -38.36 128.09 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.752 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.59 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -160.76 146.02 14.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.483 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -42.21 -42.01 2.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.898 0.38 . . . . 0.0 110.18 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.671 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 2.2 t30 -81.85 -48.56 11.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.109 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -108.25 103.93 13.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.106 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -98.36 156.18 16.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.634 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m -133.57 120.82 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.022 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 19' ' ' CYS . 25.9 p -113.79 149.72 34.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.988 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.09 34.6 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.918 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -124.39 -153.45 0.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.306 179.715 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.8 m-20 -110.3 147.4 33.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.426 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' ASP . 25.7 ptt-85 37.04 30.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.576 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.4 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.636 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.878 0.37 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -153.89 179.95 8.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.422 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.46 ' OH ' ' NH1' ' A' ' 54' ' ' ARG . 38.4 m-85 -86.41 90.69 8.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.629 ' OE1' ' SG ' ' A' ' 37' ' ' CYS . 2.2 tt0 -95.98 -34.8 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.03 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.73 32.08 4.42 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.883 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.27 -7.54 81.34 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.899 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -135.02 119.92 18.51 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.85 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -40.88 91.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.11 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.899 HG13 ' O ' ' A' ' 8' ' ' LYS . 19.8 m -108.73 143.23 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.6 m -67.38 93.03 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.525 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 67.7 m -40.6 160.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.347 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.419 ' HB2' ' SD ' ' A' ' 16' ' ' MET . 30.1 m80 -43.14 166.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -68.62 -22.6 64.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.538 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.441 ' O ' ' OG ' ' A' ' 39' ' ' SER . 12.4 t70 -81.02 -46.5 14.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.37 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.419 ' SD ' ' HB2' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -63.65 116.22 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.353 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -118.03 6.57 12.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.773 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -137.88 132.98 33.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.712 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.7 m -103.14 148.05 26.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.683 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 36.6 p90 -142.57 150.9 40.98 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.747 -0.781 . . . . 0.0 111.713 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -115.39 104.14 11.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.873 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -75.35 137.87 41.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.836 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -131.11 5.07 4.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.34 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' THR . . . . . . . . 0 CA--C 1.523 0.559 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.965 0.412 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -76.25 140.76 41.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.674 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.683 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . 177.49 -176.49 48.07 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.629 ' SG ' ' OE1' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -106.28 167.01 10.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 0.0 110.485 179.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.17 128.68 0.88 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.659 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -63.79 -33.88 76.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.632 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.8 m -121.47 48.48 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.668 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 43.0 t -49.33 130.46 19.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.446 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.3 OUTLIER -90.38 90.57 8.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -47.5 119.57 2.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.5 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 42' ' ' SER . 0.2 OUTLIER -161.29 150.58 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.707 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -43.99 -37.61 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.634 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.566 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 22.8 t-20 -77.34 -37.43 52.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -128.83 108.73 10.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.317 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -98.19 133.75 42.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.534 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 m -103.0 131.78 49.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -114.98 -177.79 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.132 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 p -149.53 24.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.523 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 144.01 51.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.624 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.616 ' O ' ' CB ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -65.59 119.99 12.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.359 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.616 ' CB ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER 90.4 20.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.425 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.738 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.667 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.161 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.667 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 9.6 m -169.19 -173.78 1.83 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.832 0.349 . . . . 0.0 110.996 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.667 ' CE1' HG23 ' A' ' 9' ' ' VAL . 45.1 m-85 -87.23 93.69 9.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.682 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -89.54 -46.41 8.69 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.727 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -122.22 51.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.468 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.5 -9.05 16.25 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -128.94 152.2 48.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.504 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.667 HG23 ' CE1' ' A' ' 4' ' ' TYR . 47.3 t -71.31 104.28 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.709 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 m -130.75 144.32 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.0 m -68.09 113.19 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.577 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 m -64.61 -176.98 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.413 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.43 ' ND1' ' OD2' ' A' ' 15' ' ' ASP . 2.4 t-80 -67.26 161.2 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.54 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -61.51 -30.75 70.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.562 ' O ' ' OG ' ' A' ' 39' ' ' SER . 34.2 m-20 -62.76 -48.59 78.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -73.07 128.98 37.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.723 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 21.0 mtpt -128.11 2.97 5.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.491 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 17' ' ' LYS . 19.8 m-85 -137.52 144.54 42.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.954 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 m -99.49 134.87 41.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.49 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 28.8 p90 -118.24 147.52 43.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.337 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -121.3 85.4 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.003 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.732 ' ND2' ' H ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -83.07 127.53 33.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.526 -179.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.574 ' N ' HD22 ' A' ' 22' ' ' ASN . 16.9 p -118.27 -4.59 10.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.679 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.732 ' H ' ' ND2' ' A' ' 22' ' ' ASN . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 34' ' ' LEU . 10.8 mp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.788 0.328 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -89.81 139.08 30.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.386 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.49 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -176.04 -166.41 33.36 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.74 162.91 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.014 0.435 . . . . 0.0 110.957 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 t -169.94 148.65 3.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.347 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.562 ' OG ' ' O ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -79.22 -50.72 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.768 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.43 45.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.749 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 25.8 t -46.6 118.72 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.4 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.07 90.22 4.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.624 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -57.83 135.21 56.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.512 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.65 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -160.67 -162.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.569 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.31 -29.26 26.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.468 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.84 -23.2 13.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.134 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.65 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -128.49 106.77 9.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.948 179.565 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.48 ' C ' ' SG ' ' A' ' 49' ' ' CYS . 35.8 mtmt -100.92 -175.27 2.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.36 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.48 ' SG ' ' C ' ' A' ' 48' ' ' LYS . 4.2 m -151.09 126.84 10.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.712 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.86 -177.14 3.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.988 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.8 p -166.44 25.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.294 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.533 ' O ' ' O ' ' A' ' 53' ' ' ASP . 7.5 m -110.75 26.62 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.685 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.681 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.2 m-20 54.57 153.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.132 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.552 ' C ' ' O ' ' A' ' 53' ' ' ASP . 3.9 ptm180 27.71 34.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.089 0.471 . . . . 0.0 110.119 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.681 ' N ' ' O ' ' A' ' 53' ' ' ASP . 35.1 t . . . . . 0 C--N 1.332 -0.166 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.585 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.426 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 4.7 pttt . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 121.001 0.429 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -158.99 -174.21 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.953 179.113 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.556 ' CZ ' HG22 ' A' ' 9' ' ' VAL . 40.5 m-85 -100.92 94.68 6.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.009 0.433 . . . . 0.0 110.687 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.584 ' HB2' HG21 ' A' ' 10' ' ' VAL . 56.3 tt0 -90.52 -52.71 4.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.61 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -126.84 40.49 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.05 -31.96 3.61 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -95.62 110.8 22.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.35 . . . . 0.0 110.6 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.556 HG22 ' CZ ' ' A' ' 4' ' ' TYR . 57.9 t -38.02 94.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.459 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.584 HG21 ' HB2' ' A' ' 5' ' ' GLN . 17.7 m -77.59 141.26 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.095 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' CYS . 4.1 t -93.42 54.17 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.771 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.465 ' SG ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -40.35 128.35 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.148 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.622 ' C ' ' H ' ' A' ' 15' ' ' ASP . 1.8 t-80 -163.44 -166.45 1.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.764 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.451 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 6.5 tpm_? 62.45 -13.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.768 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.622 ' H ' ' C ' ' A' ' 13' ' ' HIS . 19.0 t70 -166.58 -54.27 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.734 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.25 126.79 29.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -127.7 -8.16 5.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.232 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -129.82 137.91 50.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.823 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.5 m -102.2 139.97 37.11 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.634 ' CE1' ' N ' ' A' ' 36' ' ' GLY . 23.3 p90 -125.31 149.2 48.29 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.793 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.93 85.53 2.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.164 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 16.5 t-20 -63.55 127.98 33.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.797 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.61 -20.25 13.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.365 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.649 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.635 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.933 0.397 . . . . 0.0 110.261 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -98.44 139.16 34.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.428 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.634 ' N ' ' CE1' ' A' ' 20' ' ' TYR . . . -165.67 -163.11 18.42 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.56 165.53 14.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.061 0.457 . . . . 0.0 110.808 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -173.24 164.62 4.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.446 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.495 ' OG ' ' OD2' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -87.67 -43.51 11.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.393 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.8 t -117.74 72.31 0.85 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.403 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 42.9 t -66.17 144.34 56.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.477 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.97 86.69 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.652 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' C ' ' OG1' ' A' ' 44' ' ' THR . 33.4 tt0 -49.77 142.24 8.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.698 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.606 ' O ' ' N ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -177.46 139.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.521 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 44' ' ' THR . 1.6 mm-40 -37.11 -23.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.742 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.649 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 58.8 t-20 -91.91 -39.14 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.507 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -130.83 117.9 20.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.562 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.51 166.74 11.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 m -137.97 124.09 20.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.03 -165.23 1.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.003 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.577 ' O ' ' OG ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -158.1 23.33 0.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.971 0.415 . . . . 0.0 110.568 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.736 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -129.27 -162.71 1.22 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.142 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.736 ' H ' HG22 ' A' ' 52' ' ' THR . 0.0 OUTLIER -93.57 144.32 25.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.419 179.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 53' ' ' ASP . 11.7 ptt180 34.41 46.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.506 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.373 179.815 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.445 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.867 0.365 . . . . 0.0 110.814 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.445 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -154.48 -176.38 5.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.369 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.401 ' CE1' HG22 ' A' ' 9' ' ' VAL . 39.0 m-85 -101.0 95.42 6.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.002 0.43 . . . . 0.0 110.458 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.456 ' OE1' ' SG ' ' A' ' 37' ' ' CYS . 16.6 tt0 -97.96 -31.11 12.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.319 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -136.37 44.22 2.42 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.05 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.74 -38.33 2.81 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -92.28 -178.53 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.401 HG22 ' CE1' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -98.41 103.74 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.931 0.395 . . . . 0.0 110.816 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.427 HG21 ' CB ' ' A' ' 5' ' ' GLN . 24.4 m -90.3 151.32 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.275 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.18 66.17 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.749 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 m -44.32 130.34 6.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.122 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.536 ' C ' ' H ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -155.62 -155.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.967 -179.434 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.485 ' C ' ' CG ' ' A' ' 15' ' ' ASP . 18.0 ttt180 63.02 -5.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.606 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.601 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER 164.98 -42.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.517 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.3 mtt -65.61 105.72 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.554 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 53.5 mttt -116.02 12.28 15.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.701 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 17' ' ' LYS . 67.6 m-85 -147.07 139.59 24.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.405 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 7.5 m -100.52 142.77 31.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.637 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 5.7 p90 -128.35 146.09 50.87 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.689 -179.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.685 ' CG ' ' OE1' ' A' ' 35' ' ' GLN . 4.2 t60 -117.25 91.62 3.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.627 179.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.601 ' CG ' HD21 ' A' ' 47' ' ' ASN . 15.4 t30 -76.91 119.85 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.375 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 24' ' ' GLY . 24.7 p -99.41 -16.81 18.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.693 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.498 ' N ' ' OD1' ' A' ' 22' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.889 0.375 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.685 ' OE1' ' CG ' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -98.23 142.57 29.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.472 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.637 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -174.67 163.72 34.29 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.456 ' SG ' ' OE1' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -96.54 168.98 10.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.884 0.373 . . . . 0.0 110.739 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -168.71 160.14 10.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.495 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.5 t -96.44 -21.01 18.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' CYS . 0.9 OUTLIER -135.31 36.47 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.745 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 48' ' ' LYS . 36.8 t -36.56 129.46 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.63 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.3 p -86.95 85.86 7.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.691 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.562 ' O ' HG23 ' A' ' 44' ' ' THR . 20.4 tt0 -53.56 125.55 18.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.762 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.627 ' N ' ' O ' ' A' ' 47' ' ' ASN . 1.2 p -158.51 -176.24 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.445 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.31 -35.08 73.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 24' ' ' GLY . 3.8 t-20 -86.88 -46.19 10.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.942 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.627 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.6 m-80 -116.19 116.3 27.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.261 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.49 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 2.0 mtpm? -97.43 -177.25 3.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 8.9 m -152.7 130.81 11.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.624 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 p -142.66 153.4 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.62 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.529 ' O ' ' OG ' ' A' ' 51' ' ' SER . 4.0 t -139.78 42.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.56 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.28 24.27 12.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.581 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.56 ' O ' ' O ' ' A' ' 52' ' ' THR . 1.1 m-20 53.88 127.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 58.8 29.3 18.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 19' ' ' CYS . 29.9 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.605 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.46 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.577 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -155.08 179.01 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.409 179.624 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.908 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 37.9 m-85 -82.07 89.0 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.732 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.44 ' HG3' ' SG ' ' A' ' 37' ' ' CYS . 2.6 tt0 -89.35 -40.31 12.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.713 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -126.13 48.33 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.65 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.32 -6.63 21.54 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.32 129.46 39.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 0.0 110.427 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.908 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -55.27 99.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.514 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.54 162.76 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 m -75.52 97.17 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.577 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 63.1 m -49.71 152.0 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.262 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.566 ' O ' ' O ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -35.71 163.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.608 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -36.83 84.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.69 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -39.38 68.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.35 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.456 ' SD ' ' HB2' ' A' ' 13' ' ' HIS . 24.1 mtt -68.3 106.86 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.394 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -120.27 14.11 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 14.3 m-85 -142.0 130.58 22.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.313 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 m -100.46 141.15 33.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.636 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.641 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 43.9 p90 -122.86 145.79 48.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.231 0.538 . . . . 0.0 111.686 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.651 ' N ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -113.81 85.6 2.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.837 179.307 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.514 ' C ' ' OD1' ' A' ' 22' ' ' ASN . 10.3 t-20 -81.36 130.76 35.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.027 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.28 -19.86 12.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.209 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.937 0.398 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.57 139.41 30.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.814 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.641 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -172.46 -174.68 39.94 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.44 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -116.8 166.53 12.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.024 0.44 . . . . 0.0 110.86 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.44 166.35 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.82 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -45.95 5.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.124 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.592 ' O ' ' O ' ' A' ' 41' ' ' CYS . 0.3 OUTLIER -109.89 52.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.065 179.529 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.737 ' SG ' ' N ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -37.28 170.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.142 -179.652 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.737 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 31.6 t -143.42 58.48 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.17 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.516 ' C ' ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -28.94 145.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.763 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.634 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -167.16 -171.91 1.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.638 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.34 -32.74 37.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -97.81 -18.26 18.86 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.633 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.634 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -131.5 110.01 10.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.077 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.485 ' HB2' ' ND1' ' A' ' 21' ' ' HIS . 2.2 mptp? -95.76 171.99 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.68 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.2 m -143.97 139.42 29.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.965 0.412 . . . . 0.0 111.383 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 t -135.88 156.63 48.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.439 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.548 ' O ' ' OG ' ' A' ' 51' ' ' SER . 1.5 t -122.66 24.1 9.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.504 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.93 161.46 18.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.566 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.41 128.78 33.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.417 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 64.59 35.47 9.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.005 0.431 . . . . 0.0 110.123 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.468 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.623 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.794 0.33 . . . . 0.0 110.539 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.623 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -173.42 176.79 2.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.62 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.634 ' CE1' HG23 ' A' ' 9' ' ' VAL . 30.6 m-85 -79.08 86.6 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.056 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.563 ' OE1' ' SG ' ' A' ' 12' ' ' CYS . 1.1 tt0 -89.67 -44.25 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.067 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.62 37.73 4.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.784 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.18 -6.28 83.74 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.715 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -137.39 125.28 22.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.684 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.634 HG23 ' CE1' ' A' ' 4' ' ' TYR . 16.8 t -44.31 98.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.243 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 8' ' ' LYS . 15.9 m -121.38 151.54 24.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.4 m -78.99 107.6 11.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.395 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.563 ' SG ' ' OE1' ' A' ' 5' ' ' GLN . 1.2 m -58.74 -166.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.333 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -53.04 174.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.115 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -88.48 3.42 50.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.626 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -112.1 -23.59 10.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.749 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.522 ' SD ' ' C ' ' A' ' 37' ' ' CYS . 55.3 mtt -86.42 123.82 32.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 0.0 110.814 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -117.28 -7.53 11.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.719 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -115.67 135.68 53.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.004 0.43 . . . . 0.0 110.686 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.7 m -105.63 148.91 26.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.353 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.686 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 21.9 p90 -143.11 159.92 41.38 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.607 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -125.66 87.82 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.945 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.716 HD21 ' ND2' ' A' ' 47' ' ' ASN . 1.2 m-80 -65.72 137.83 57.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.72 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 p -111.32 -21.53 11.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.54 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.494 ' C ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 121.001 0.429 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.439 ' CD ' ' O ' ' A' ' 4' ' ' TYR . 16.7 pt20 -57.87 135.51 56.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.908 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.686 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -168.42 -179.99 41.09 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.546 -1.021 . . . . 0.0 110.546 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.522 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -108.91 168.03 9.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.019 0.438 . . . . 0.0 110.891 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.427 ' HA ' ' SD ' ' A' ' 16' ' ' MET . 0.3 OUTLIER -159.02 162.38 36.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.762 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.05 -28.58 17.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.423 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.5 ' O ' ' C ' ' A' ' 41' ' ' CYS . 1.3 m -132.35 33.45 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.376 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 40' ' ' SER . 16.0 t -30.64 125.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.669 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' ' C ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -93.69 79.62 4.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.536 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.574 ' OE2' ' O ' ' A' ' 49' ' ' CYS . 10.0 mm-40 -32.44 140.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -161.35 174.23 13.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.543 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.504 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 6.8 tm-20 -74.36 -26.13 59.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.479 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.494 ' OD1' ' C ' ' A' ' 24' ' ' GLY . 0.4 OUTLIER -97.84 -12.09 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.957 179.717 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.716 ' ND2' HD21 ' A' ' 22' ' ' ASN . 9.3 t-20 -144.83 113.81 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.169 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -105.79 138.36 42.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.756 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.574 ' O ' ' OE2' ' A' ' 43' ' ' GLU . 2.5 m -113.43 127.82 56.24 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.1 t -106.68 170.81 7.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.189 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.571 ' O ' ' OG ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -128.63 22.81 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 110.586 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.481 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -123.7 -169.52 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.446 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.4 m-20 -90.7 153.58 20.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.512 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER 35.2 25.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.185 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.644 ' N ' ' O ' ' A' ' 53' ' ' ASP . 24.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.836 0.351 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -173.07 171.99 4.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.681 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.814 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 39.3 m-85 -79.12 89.92 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.747 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -96.89 -27.97 14.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.492 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -138.91 44.57 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.519 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.6 2.88 70.59 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.827 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -143.95 126.6 16.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.556 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.814 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 3.5 m -51.85 95.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.377 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.827 HG13 ' O ' ' A' ' 8' ' ' LYS . 31.6 m -112.77 153.88 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.653 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.609 ' O ' HG22 ' A' ' 11' ' ' THR . 6.2 m -75.67 86.29 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.962 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.501 ' O ' ' O ' ' A' ' 11' ' ' THR . 24.3 m -42.91 170.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.063 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -61.77 166.38 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.919 0.39 . . . . 0.0 111.052 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -29.13 70.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.196 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -40.45 97.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.364 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.0 mtt -74.82 113.57 12.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.817 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' C ' ' CG ' ' A' ' 18' ' ' PHE . 4.2 mttt -120.57 17.8 12.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.997 0.427 . . . . 0.0 110.011 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.403 ' CG ' ' C ' ' A' ' 17' ' ' LYS . 43.9 m-85 -152.77 134.44 14.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.268 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.1 t -99.43 152.99 19.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.66 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 38.5 p90 -141.37 145.73 35.76 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.9 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -114.49 94.03 4.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.892 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -90.09 130.99 36.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.988 0.423 . . . . 0.0 111.151 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.612 ' OG1' ' ND2' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -95.33 -31.17 13.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.283 179.65 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 CA--C 1.522 -0.106 0 CA-C-O 120.899 0.381 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.673 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -70.36 140.72 52.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.84 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.66 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . -172.2 176.54 45.2 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 164.5 11.88 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.705 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 t -167.81 141.26 3.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.687 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.401 ' HA ' ' H ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -75.94 -10.73 59.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.469 179.855 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.549 ' O ' ' OG ' ' A' ' 40' ' ' SER . 1.6 t -152.12 56.46 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 42' ' ' SER . 1.9 t -50.41 152.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.775 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.532 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -102.58 88.03 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.392 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.66 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 31.1 tt0 -59.74 121.89 12.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.685 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -151.25 -146.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.514 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -93.61 -39.81 10.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.737 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.612 ' ND2' ' OG1' ' A' ' 23' ' ' THR . 0.8 OUTLIER -92.05 -30.09 16.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.302 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 42' ' ' SER . 4.6 t30 -121.54 112.35 18.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.513 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -103.8 158.08 16.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.699 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.66 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 9.8 m -117.67 137.54 52.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.11 -173.23 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.315 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 m -156.45 26.67 0.34 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.256 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.569 HG22 ' N ' ' A' ' 53' ' ' ASP . 58.0 m -135.9 163.53 30.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.586 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.569 ' N ' HG22 ' A' ' 52' ' ' THR . 0.0 OUTLIER -75.65 135.56 40.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.33 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 66.07 34.64 6.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.475 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.337 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.938 0.399 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 t -166.63 -163.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.276 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.464 ' HB3' HE21 ' A' ' 35' ' ' GLN . 25.3 m-85 -90.66 91.77 8.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.09 0.472 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' A' ' 5' ' ' GLN . 3.8 tt0 -90.67 -41.12 11.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.795 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -132.41 43.96 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.661 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.59 1.8 72.77 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.582 ' O ' HG22 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -136.93 121.0 17.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.784 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.442 HG23 ' CZ ' ' A' ' 4' ' ' TYR . 93.6 t -44.06 100.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.32 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 8' ' ' LYS . 16.7 m -136.04 157.87 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.819 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.0 m -76.33 108.85 9.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.606 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.406 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 0.5 OUTLIER -58.55 -163.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.313 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.676 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.8 t-80 -132.15 -147.75 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.713 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 37.45 20.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.272 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.676 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER 55.87 59.55 3.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.304 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.702 ' SD ' ' N ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -64.57 140.6 58.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.421 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.565 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 1.9 tmtt? -120.82 -2.22 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.655 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.702 ' N ' ' SD ' ' A' ' 16' ' ' MET . 54.9 m-85 -149.75 141.05 23.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.975 0.417 . . . . 0.0 111.022 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.475 ' HB3' ' SG ' ' A' ' 50' ' ' CYS . 24.3 t -101.67 153.09 20.08 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.67 ' CE2' ' C ' ' A' ' 36' ' ' GLY . 52.5 p90 -140.6 135.52 31.85 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.936 -0.706 . . . . 0.0 111.764 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -103.11 86.42 2.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.849 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -64.94 129.55 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.0 t -138.03 5.25 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.62 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 23' ' ' THR . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.836 0.351 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.464 HE21 ' HB3' ' A' ' 4' ' ' TYR . 5.1 pt20 -72.95 137.82 45.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.62 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.67 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -165.25 -179.45 39.11 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.39 159.91 22.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.772 0.32 . . . . 0.0 110.592 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.515 ' C ' ' H ' ' A' ' 40' ' ' SER . 1.9 t -166.81 146.23 5.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.716 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.507 ' O ' ' OG ' ' A' ' 39' ' ' SER . 1.3 t -73.04 18.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.342 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.515 ' H ' ' C ' ' A' ' 38' ' ' SER . 0.3 OUTLIER -176.64 87.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.488 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.689 ' SG ' ' N ' ' A' ' 42' ' ' SER . 23.4 t -84.85 168.97 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.694 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.689 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 42.1 t -121.84 95.43 4.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.479 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.601 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 0.4 OUTLIER -55.97 95.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.425 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 47' ' ' ASN . 1.0 OUTLIER -147.37 141.93 26.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.709 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -42.48 -24.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.971 0.415 . . . . 0.0 110.208 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -80.63 -42.94 21.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.179 179.587 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.614 ' ND2' ' SG ' ' A' ' 41' ' ' CYS . 0.2 OUTLIER -136.51 107.86 6.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.392 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -76.79 164.17 26.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.605 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 31.4 m -130.64 135.8 48.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.892 0.377 . . . . 0.0 111.068 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.701 ' SG ' ' N ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -118.22 177.97 4.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.558 179.229 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.701 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 2.9 t -150.02 31.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.555 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 1.8 m -144.47 148.91 35.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.403 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.01 129.12 38.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.478 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 72.17 30.04 2.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.673 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.555 ' SG ' ' O ' ' A' ' 52' ' ' THR . 2.4 p . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.519 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.572 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 3.1 pttt . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.958 0.409 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.572 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -168.54 -168.32 0.89 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.087 179.716 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.601 ' CE1' HG23 ' A' ' 9' ' ' VAL . 49.5 m-85 -96.88 93.43 6.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.126 0.489 . . . . 0.0 110.551 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.405 ' O ' ' CD ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -96.18 -24.82 16.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.931 -179.715 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.411 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.0 t-80 -142.09 47.79 1.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.603 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.54 -29.57 2.28 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 6' ' ' HIS . 1.5 mttt -108.78 163.93 12.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 0.0 110.614 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.601 HG23 ' CE1' ' A' ' 4' ' ' TYR . 68.0 t -78.38 101.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.65 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.51 155.94 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.339 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.553 ' O ' HG22 ' A' ' 11' ' ' THR . 15.9 m -95.52 88.35 5.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.387 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.6 m -56.59 164.83 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.589 ' C ' ' H ' ' A' ' 15' ' ' ASP . 2.7 t-160 -174.46 -147.31 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.861 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.56 ' O ' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER 61.55 -6.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.342 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.589 ' H ' ' C ' ' A' ' 13' ' ' HIS . 1.5 m-20 156.56 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.454 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.0 mtt -59.38 113.2 2.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.647 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -119.46 -3.91 10.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.639 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -133.02 141.87 48.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 50' ' ' CYS . 14.1 m -100.26 130.95 46.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.651 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 8.7 p90 -109.85 153.97 23.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.116 0.484 . . . . 0.0 111.321 -179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -120.51 81.66 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.933 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.61 ' ND2' HD21 ' A' ' 46' ' ' ASN . 0.2 OUTLIER -78.61 125.53 29.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.297 -179.27 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.516 ' O ' ' O ' ' A' ' 24' ' ' GLY . 2.1 p -100.03 -20.59 15.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.202 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.794 ' H ' HD21 ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.526 0.755 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.865 0.364 . . . . 0.0 110.241 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -35.95 129.49 0.65 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.718 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.487 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -165.28 -175.12 35.62 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.19 163.07 13.1 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.822 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 t -173.77 153.25 2.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.447 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.74 -85.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.571 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' CYS . 2.7 m -74.41 45.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.434 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' SER . 49.9 t -40.02 145.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.255 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.577 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.7 OUTLIER -107.37 81.31 1.51 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.811 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.753 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -46.77 115.96 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.335 179.642 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.625 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -146.73 -173.79 4.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.554 -179.834 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.26 -44.35 72.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.364 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.794 HD21 ' H ' ' A' ' 24' ' ' GLY . 6.8 t30 -88.39 -36.3 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.538 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.625 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.2 t-20 -119.55 101.7 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.615 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -86.25 -171.61 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.884 -179.787 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.753 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 45.1 m -154.79 126.79 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.217 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' CYS . 17.0 p -145.49 174.51 11.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 0.0 110.865 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.09 25.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.331 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.86 22.77 9.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.702 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER 66.26 144.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.704 179.809 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER 34.22 25.31 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.355 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.669 ' N ' ' O ' ' A' ' 53' ' ' ASP . 11.4 p . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.697 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.593 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.778 0.323 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.593 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 72.4 m -156.51 -174.1 4.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 110.805 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.474 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 58.2 m-85 -79.96 91.28 5.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.253 0.549 . . . . 0.0 110.406 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.4 ' HB3' ' CG2' ' A' ' 10' ' ' VAL . 1.6 tt0 -102.64 -16.06 16.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.084 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -150.62 35.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.756 0.312 . . . . 0.0 110.594 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.99 -26.22 13.83 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.68 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -122.19 138.43 54.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.738 0.304 . . . . 0.0 110.496 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.474 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -52.77 98.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.518 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 8' ' ' LYS . 35.5 m -118.28 152.35 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.6 m -79.0 119.05 21.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.502 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.7 m -65.98 -149.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.608 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.682 ' CD2' ' H ' ' A' ' 14' ' ' ARG . 3.7 t60 -78.41 -175.96 4.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.682 ' H ' ' CD2' ' A' ' 13' ' ' HIS . 21.6 mtp180 -91.99 9.24 33.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.597 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -115.78 -41.16 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.614 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.8 mpt? -60.2 135.58 57.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -132.85 -3.57 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.808 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -125.98 134.5 51.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.603 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.625 ' O ' ' N ' ' A' ' 50' ' ' CYS . 78.1 m -101.66 140.21 36.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.776 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.52 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 33.6 p90 -128.6 146.76 50.76 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.224 -0.591 . . . . 0.0 111.539 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -114.47 90.15 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.805 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -83.42 125.28 31.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.401 . . . . 0.0 111.052 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.18 -17.72 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.257 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.616 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.723 0.297 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -66.29 132.57 48.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.298 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.52 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -167.27 -154.28 8.43 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.61 166.53 15.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.04 0.447 . . . . 0.0 110.951 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.8 t -158.66 170.68 21.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.459 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.19 -17.98 17.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.406 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 41' ' ' CYS . 61.2 m -145.49 44.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.43 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 48' ' ' LYS . 43.5 t -33.72 139.89 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.679 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.545 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.6 OUTLIER -107.04 76.26 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.511 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.773 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 1.4 tt0 -37.18 126.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.736 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.674 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -159.05 174.01 15.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.448 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.23 -38.21 88.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.591 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.616 ' ND2' ' N ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -89.67 -35.61 15.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.538 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.674 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.2 t30 -126.04 106.94 9.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.458 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 8.2 mtpp -87.73 -169.11 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.941 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.773 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 64.4 m -147.86 137.24 22.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.51 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.625 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -118.67 -167.58 1.4 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.524 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.477 ' O ' HG22 ' A' ' 52' ' ' THR . 16.7 m -131.28 32.29 4.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.523 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER 77.69 164.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.163 179.53 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.661 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER 81.33 63.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.572 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' ASP . 1.0 OUTLIER 37.23 21.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.345 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.661 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.729 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.573 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.821 0.343 . . . . 0.0 110.726 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.573 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -165.55 -172.95 2.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.575 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -90.99 94.12 9.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.022 0.439 . . . . 0.0 110.214 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -90.86 -41.2 11.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.185 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -127.91 47.46 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.991 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.04 -1.47 59.36 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.422 ' O ' HG13 ' A' ' 10' ' ' VAL . 3.3 mttt -133.48 158.38 43.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.778 0.323 . . . . 0.0 110.335 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.3 t -74.78 103.82 2.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.373 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -111.68 146.4 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.817 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.769 ' O ' HG23 ' A' ' 11' ' ' THR . 10.2 t -97.35 98.62 10.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.407 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -174.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -57.83 170.2 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.696 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -21.15 63.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.605 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -75.28 -63.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.571 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.3 mtt -45.71 116.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.721 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -121.92 1.01 9.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.315 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -128.29 136.26 50.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.8 m -101.79 132.79 47.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.65 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.667 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 31.9 p90 -117.22 150.62 38.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.352 0.596 . . . . 0.0 111.826 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.407 ' CD2' ' HB3' ' A' ' 35' ' ' GLN . 2.8 t-160 -125.4 106.1 9.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.793 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.563 ' OD1' ' OD1' ' A' ' 46' ' ' ASN . 0.7 OUTLIER -84.2 131.83 34.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.906 0.384 . . . . 0.0 110.739 -179.524 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p -107.73 -16.64 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.334 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.465 ' HA2' HD21 ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.526 0.738 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.81 0.338 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.407 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 18.2 pt20 -100.58 135.2 42.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.493 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.667 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . -168.87 -171.64 34.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.08 159.82 15.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.877 0.37 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 t -170.83 127.42 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -73.5 160.44 31.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.33 179.624 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' SER . 43.9 t 37.98 47.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.185 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.6 t -66.83 142.99 57.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.782 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.644 ' O ' HG23 ' A' ' 44' ' ' THR . 0.6 OUTLIER -106.39 87.25 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.553 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -41.5 121.63 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.625 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 42' ' ' SER . 16.6 p -132.74 179.92 5.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.353 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.64 -36.6 65.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.527 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.564 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 19.2 t-20 -88.79 -37.34 15.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.296 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.411 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.1 OUTLIER -122.35 109.05 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.153 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -99.72 156.56 17.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 m -123.17 135.05 54.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.036 0.446 . . . . 0.0 111.138 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.11 172.06 7.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.392 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.9 p -138.0 22.52 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.67 156.8 42.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.331 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -73.84 142.05 46.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.399 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.55 40.13 29.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.528 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.819 0.343 . . . . 0.0 110.363 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -165.65 -162.24 0.56 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.402 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.474 ' HB2' ' NE2' ' A' ' 35' ' ' GLN . 46.2 m-85 -92.96 94.76 9.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.142 0.496 . . . . 0.0 110.472 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.425 HE21 ' HA ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -105.77 -24.37 12.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.761 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.406 ' NE2' ' OE1' ' A' ' 5' ' ' GLN . 15.7 m-70 -134.0 35.65 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.462 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.28 -13.66 32.24 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.407 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -129.09 143.52 50.89 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 179.71 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.486 ' H ' HG23 ' A' ' 9' ' ' VAL . 2.2 t -56.09 101.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.512 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 8' ' ' LYS . 35.6 m -131.32 157.78 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.37 106.23 10.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.371 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' HE21 ' A' ' 5' ' ' GLN . 0.0 OUTLIER -59.57 -159.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.846 -179.742 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -43.05 154.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.699 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.2 mtt85 -82.66 41.83 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.439 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -158.47 -3.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.073 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.618 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -74.36 138.02 43.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.606 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.652 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 4.0 mtpm? -125.33 6.62 7.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.652 ' CD1' ' C ' ' A' ' 17' ' ' LYS . 71.7 m-85 -156.83 138.6 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.788 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.461 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 56.9 m -103.21 140.77 36.93 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.609 ' CD1' ' OD1' ' A' ' 47' ' ' ASN . 10.8 p90 -136.13 148.54 48.27 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.574 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.417 ' CD2' ' HB3' ' A' ' 35' ' ' GLN . 3.3 t-160 -111.37 99.22 8.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.16 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.754 ' ND2' ' H ' ' A' ' 24' ' ' GLY . 1.7 t-20 -80.06 135.64 36.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.786 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.554 ' N ' ' ND2' ' A' ' 22' ' ' ASN . 23.2 p -109.32 -22.11 12.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.299 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.754 ' H ' ' ND2' ' A' ' 22' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.848 0.356 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.474 ' NE2' ' HB2' ' A' ' 4' ' ' TYR . 1.3 pt20 -73.41 126.08 29.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.524 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.482 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -157.36 167.08 33.91 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -111.25 170.97 7.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.975 0.416 . . . . 0.0 110.769 -179.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.95 171.33 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.753 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 t -84.07 -42.57 15.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.547 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.0 t -120.82 85.31 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.4 t -86.0 136.74 33.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.39 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.79 94.09 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 6.2 mp0 -43.81 138.26 2.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.533 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.629 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -168.11 145.56 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.915 0.388 . . . . 0.0 110.655 179.777 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -44.14 -20.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.585 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 32.2 t-20 -95.81 -35.98 11.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.198 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.629 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -133.37 120.64 21.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.078 179.717 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -111.23 134.94 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.636 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.459 ' SG ' ' HG3' ' A' ' 43' ' ' GLU . 1.8 m -103.42 140.91 36.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.969 0.414 . . . . 0.0 111.042 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 p -141.13 130.66 23.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.512 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.18 40.5 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.661 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.482 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.63 22.55 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.524 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.693 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER 56.2 152.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.651 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' A' ' 53' ' ' ASP . 7.1 ptp180 30.48 29.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.818 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.693 ' N ' ' O ' ' A' ' 53' ' ' ASP . 29.9 p . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.014 0.435 . . . . 0.0 110.418 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.669 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 120.756 0.312 . . . . 0.0 110.237 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.669 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 36.2 m -158.2 -161.8 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.057 0.455 . . . . 0.0 111.166 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -88.4 91.0 8.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.517 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.443 ' HG3' ' SG ' ' A' ' 37' ' ' CYS . 3.3 tt0 -91.74 -38.06 12.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.69 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -130.63 46.02 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.484 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.1 0.81 61.73 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' O ' HG22 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -136.18 143.77 44.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.31 . . . . 0.0 110.508 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.406 HG21 ' NE ' ' A' ' 54' ' ' ARG . 51.9 t -63.54 100.16 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.649 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 8' ' ' LYS . 21.5 m -137.87 158.07 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.2 m -73.42 126.62 30.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.553 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.7 m -73.54 -174.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.506 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.444 ' CB ' ' SD ' ' A' ' 16' ' ' MET . 0.7 OUTLIER -67.07 163.77 19.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.576 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -65.13 -31.56 72.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.01 -36.99 80.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.444 ' SD ' ' CB ' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -72.14 130.88 41.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.823 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -126.76 -8.25 6.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.649 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -129.39 137.86 51.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.7 m -98.03 148.83 23.11 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.621 ' CE2' ' C ' ' A' ' 36' ' ' GLY . 27.7 p90 -138.1 148.93 45.48 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.479 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.564 ' CE1' ' NE2' ' A' ' 35' ' ' GLN . 3.5 t-160 -126.03 120.1 29.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.463 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -108.17 128.72 54.95 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.282 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -110.12 -13.65 14.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.344 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . 0 CA--C 1.525 0.717 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.577 ' N ' ' OE1' ' A' ' 35' ' ' GLN . 4.5 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.865 0.364 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.577 ' OE1' ' N ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -85.14 138.07 32.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.84 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.621 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -159.74 -161.09 10.98 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.443 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -120.53 164.62 16.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.499 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.6 t -166.18 150.66 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -34.06 43.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.399 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.483 ' O ' ' OG ' ' A' ' 40' ' ' SER . 10.0 p -128.53 62.89 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 48.6 t -62.09 151.46 35.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.685 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.03 89.68 3.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.579 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -51.88 108.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.51 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 p -134.16 -171.35 2.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.507 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -80.57 -34.48 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.34 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 5.3 t30 -85.05 -41.25 15.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.133 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.542 ' C ' ' OD1' ' A' ' 47' ' ' ASN . 2.4 t30 -121.02 114.85 22.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.484 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.65 163.75 13.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.746 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 m -139.35 124.27 18.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.41 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 p -122.61 -170.37 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.501 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.23 27.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.965 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.541 HG22 ' N ' ' A' ' 53' ' ' ASP . 99.3 m -128.39 161.36 29.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 110.684 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.541 ' N ' HG22 ' A' ' 52' ' ' THR . 3.8 t70 -60.09 136.7 58.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.641 -179.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.406 ' NE ' HG21 ' A' ' 9' ' ' VAL . 13.2 ttm180 43.81 44.51 5.72 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.343 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 52' ' ' THR . 27.1 p . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.697 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.545 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -170.91 165.15 7.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.582 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.545 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 7.5 m -165.75 -167.07 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.207 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.537 ' O ' ' OE1' ' A' ' 35' ' ' GLN . 32.5 m-85 -92.27 91.1 7.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.08 0.467 . . . . 0.0 110.31 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -94.78 -38.66 10.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.591 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -128.69 41.06 3.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.446 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.61 -3.01 44.91 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.762 ' O ' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -130.9 119.82 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 110.519 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.519 HG23 ' CZ ' ' A' ' 4' ' ' TYR . 94.9 t -43.2 95.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.199 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 8' ' ' LYS . 6.0 m -129.76 160.83 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.951 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 m -80.22 110.89 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.18 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -58.0 -156.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.773 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.576 ' CG ' ' H ' ' A' ' 14' ' ' ARG . 4.7 t-160 -143.51 -145.08 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.576 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 29.8 mtm-85 41.13 21.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.363 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' HIS . 15.9 t0 58.58 60.4 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.624 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -80.41 139.2 36.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.643 -179.687 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' SD ' ' A' ' 16' ' ' MET . 38.4 tttm -127.21 -3.84 6.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.183 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.518 ' N ' ' SD ' ' A' ' 16' ' ' MET . 57.4 m-85 -141.23 139.25 33.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.686 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' CYS . 64.4 m -104.01 138.32 40.72 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.685 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 35.0 p90 -124.71 145.08 49.88 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.465 -179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.419 ' NE2' HD12 ' A' ' 33' ' ' ILE . 1.4 t-160 -114.14 74.76 0.89 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.26 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -69.03 122.49 18.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.694 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 24' ' ' GLY . 67.4 p -111.1 -10.63 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' HA2' HD21 ' A' ' 46' ' ' ASN . . . -60.27 -137.19 0.01 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.522 ' SD ' HD11 ' A' ' 34' ' ' LEU . 1.9 ttt 39.28 93.13 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.758 0.313 . . . . 0.0 110.561 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -80.77 84.48 1.99 Allowed 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.759 2.306 . . . . 0.0 112.178 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.477 ' CE2' ' O ' ' A' ' 28' ' ' ARG . 11.8 t80 -122.57 126.99 48.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.444 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.545 ' O ' ' CB ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -66.91 175.42 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 28' ' ' ARG . 16.9 t-20 84.75 -2.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.626 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.0 mt -153.1 163.02 40.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.737 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -88.93 45.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.679 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 mt 43.52 67.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.48 ' HA ' HD13 ' A' ' 33' ' ' ILE . 6.3 mm -136.37 102.77 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.506 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.522 HD11 ' SD ' ' A' ' 25' ' ' MET . 0.6 OUTLIER -115.36 67.35 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.571 ' NE2' ' O ' ' A' ' 20' ' ' TYR . 1.8 tm0? -79.81 132.44 36.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.543 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.685 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -165.95 164.35 37.39 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.32 163.29 12.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.0 157.18 23.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.757 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t -69.02 -43.45 74.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.27 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -128.76 92.43 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.289 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.48 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 49.7 t -73.8 158.75 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 37.9 t -117.93 83.7 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.279 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.708 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 70.4 tt0 -50.23 111.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 42' ' ' SER . 0.2 OUTLIER -135.92 -167.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.47 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 45' ' ' GLU . 4.4 mm-40 -79.48 -41.12 28.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.397 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.458 HD21 ' HA2' ' A' ' 24' ' ' GLY . 3.7 t-20 -93.14 -30.33 15.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.363 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.605 ' ND2' ' O ' ' A' ' 42' ' ' SER . 2.8 t30 -117.95 98.16 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.505 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.27 176.31 9.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.592 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.708 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 61.9 m -140.22 135.2 32.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.939 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' CYS . 1.2 m -113.55 177.72 4.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.977 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.0 t -152.33 29.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.4 m -143.41 153.24 42.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.452 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' HB2' ' HZ2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -68.69 129.4 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.23 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 70.35 30.67 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.28 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.0 t -76.06 -35.16 59.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.294 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.635 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -91.51 60.01 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.398 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' OXT' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.534 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.614 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -161.52 158.76 26.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.396 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.614 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 78.8 m -157.58 -162.31 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.648 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.823 ' H ' HD21 ' A' ' 56' ' ' ASN . 45.7 m-85 -98.23 92.59 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.82 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.416 ' H ' HG23 ' A' ' 10' ' ' VAL . 31.0 tt0 -84.37 -43.48 14.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.531 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -127.39 48.27 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.247 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.89 -13.4 8.88 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 161.05 20.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.683 0.278 . . . . 0.0 110.406 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.1 t -73.47 104.92 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.672 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.416 HG23 ' H ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -127.9 154.98 39.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.384 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -84.57 101.5 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.524 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.1 m -50.95 149.75 3.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.433 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.01 164.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -68.44 -16.98 64.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.663 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -79.35 -41.96 26.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.5 mtt -69.1 125.86 28.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.652 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 38.3 mttt -122.76 8.9 9.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.385 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 42.2 m-85 -148.77 135.16 19.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.989 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.2 m -99.0 140.95 32.38 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.687 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 19.3 p90 -126.04 148.29 49.35 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.78 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.537 ' C ' ' ND1' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -113.62 95.47 5.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.717 179.583 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.432 ' ND2' ' N ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -87.97 135.61 33.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 -179.178 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.52 -21.64 12.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.022 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . 60.19 -160.24 22.42 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' O ' ' A' ' 26' ' ' PRO . 26.9 mtm -74.09 153.47 88.58 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.7 0.286 . . . . 0.0 110.634 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 27' ' ' PHE . 85.5 Cg_exo -39.87 168.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.853 2.369 . . . . 0.0 112.124 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.518 ' C ' ' O ' ' A' ' 26' ' ' PRO . 27.4 t80 -29.78 112.66 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.439 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -133.74 -29.58 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.731 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.44 -96.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 32' ' ' LEU . 4.2 mt -92.13 -152.1 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.926 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -75.34 29.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.735 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 30' ' ' LEU . 53.3 mt 42.31 72.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.446 ' O ' HG22 ' A' ' 33' ' ' ILE . 4.4 mm -127.2 88.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.542 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.3 mt -111.44 21.74 15.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.445 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -53.64 134.48 41.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.687 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -163.88 178.71 39.21 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.97 160.1 16.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 t -160.73 148.56 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.589 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -10.18 57.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.493 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.59 56.98 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.55 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 43.9 t -71.71 117.48 13.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.454 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 43' ' ' GLU . 1.4 p -90.4 93.72 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 42' ' ' SER . 3.2 mm-40 -34.28 121.63 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.551 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.59 ' N ' ' O ' ' A' ' 47' ' ' ASN . 1.3 p -150.4 151.91 33.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.465 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.49 -33.42 54.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 4.5 t-20 -90.58 -10.56 42.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.223 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 44' ' ' THR . 11.6 t-20 -156.24 110.46 2.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.661 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -101.6 160.32 14.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.606 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.438 ' SG ' ' HG2' ' A' ' 43' ' ' GLU . 2.3 m -123.61 140.46 52.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.787 0.327 . . . . 0.0 110.71 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.2 p -141.03 154.31 45.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.562 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.21 33.54 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.377 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.567 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -110.23 22.09 15.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.558 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.666 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER 52.13 156.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.565 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.483 ' C ' ' O ' ' A' ' 53' ' ' ASP . 2.2 ttt180 34.08 25.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.666 ' N ' ' O ' ' A' ' 53' ' ' ASP . 6.2 p -79.87 -40.81 27.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.549 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.823 HD21 ' H ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -73.77 59.33 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.68 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.9 tttt . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.51 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.46 ' N ' ' OD2' ' A' ' 53' ' ' ASP . 1.5 mt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.678 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -167.31 158.86 12.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.086 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.678 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 77.3 m -162.34 -169.47 2.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.631 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 41.8 m-85 -89.78 89.54 7.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.167 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -96.79 -24.64 15.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.649 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -138.17 42.54 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.526 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.95 -12.95 9.71 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.762 ' O ' HG22 ' A' ' 10' ' ' VAL . 3.3 mtmm -128.41 139.73 52.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 110.367 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.582 HG23 ' CE1' ' A' ' 4' ' ' TYR . 61.5 t -56.71 100.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 8' ' ' LYS . 2.5 m -131.23 145.15 35.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.815 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.8 m -70.67 118.94 14.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.14 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -158.67 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.749 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.633 ' CG ' ' H ' ' A' ' 14' ' ' ARG . 7.2 t-80 -134.94 -144.53 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.709 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.633 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 29.6 ttt-85 41.28 23.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.296 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.8 OUTLIER 53.97 45.4 27.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.154 -179.792 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.629 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -57.34 136.88 56.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.605 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' H ' ' HA ' ' A' ' 39' ' ' SER . 41.1 mmtt -115.79 -3.48 12.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.478 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.615 ' N ' ' SD ' ' A' ' 16' ' ' MET . 97.7 m-85 -153.52 151.09 29.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.966 0.412 . . . . 0.0 111.072 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.479 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 96.3 m -108.3 145.66 34.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.773 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.684 ' CE2' ' O ' ' A' ' 36' ' ' GLY . 25.1 p90 -131.82 140.88 49.29 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.397 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -111.02 84.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.078 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.587 HD22 ' C ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -75.24 118.79 18.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.523 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' MET . 71.0 p -96.2 -20.98 18.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.351 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 25' ' ' MET . . . 62.6 -80.41 0.03 OUTLIER Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.541 ' C ' ' O ' ' A' ' 24' ' ' GLY . 10.1 ptm 27.29 61.66 0.6 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.488 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.79 -92.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.867 2.378 . . . . 0.0 112.178 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -88.41 -6.03 57.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.773 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.75 167.59 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.578 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -56.73 -56.55 20.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.682 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tp 65.4 107.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.375 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.84 40.81 1.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.763 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mt -114.5 126.33 54.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.446 ' H ' HG22 ' A' ' 33' ' ' ILE . 2.4 tt -83.75 129.72 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 mp -120.39 59.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.006 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.631 ' NE2' ' O ' ' A' ' 4' ' ' TYR . 0.7 OUTLIER -83.74 139.76 32.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.076 -179.559 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.684 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -171.81 153.73 20.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.5 165.97 10.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.901 0.382 . . . . 0.0 111.203 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.9 t -168.14 159.93 11.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.591 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.457 ' HA ' ' H ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -79.13 -31.04 43.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.26 87.76 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.5 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 42' ' ' SER . 36.1 t -87.49 160.67 18.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.737 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.523 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 0.2 OUTLIER -116.79 92.33 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.586 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 43.7 mt-10 -51.76 106.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.479 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' ASN . 9.8 p -141.3 157.66 44.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.534 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -33.46 23.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.766 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.474 ' OD1' ' O ' ' A' ' 24' ' ' GLY . 2.5 t-20 -88.6 -38.71 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.669 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 42' ' ' SER . 1.1 t30 -128.09 105.73 8.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.489 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 2.0 mmmt -92.98 172.14 8.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.733 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 2.2 m -139.83 130.54 25.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.069 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -124.99 166.82 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.155 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.53 42.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.604 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.504 ' O ' ' O ' ' A' ' 53' ' ' ASP . 4.6 m -127.49 25.33 6.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.619 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 55' ' ' CYS . 4.7 m-20 54.6 154.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.417 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.531 ' C ' ' O ' ' A' ' 53' ' ' ASP . 1.4 ptt180 30.79 30.89 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.206 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.673 ' N ' ' O ' ' A' ' 53' ' ' ASP . 4.5 p -69.18 -36.44 77.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.505 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.628 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -76.89 87.29 3.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.502 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.091 -0.956 . . . . 0.0 110.534 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 1' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.66 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -154.79 163.54 40.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.395 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 35.2 m -165.82 178.69 6.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.499 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.499 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 54.5 m-85 -81.35 89.58 6.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.414 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.449 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 1.3 tm0? -96.45 -26.63 15.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.837 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -136.68 36.2 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.384 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.15 -6.69 82.87 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' O ' HG13 ' A' ' 10' ' ' VAL . 9.8 mtmt -139.54 145.92 39.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.322 . . . . 0.0 110.484 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.454 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 2.3 m -57.28 92.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.514 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 8' ' ' LYS . 34.5 m -117.03 142.45 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.804 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 11' ' ' THR . 7.9 t -62.93 112.09 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.484 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 76.4 m -61.41 -174.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.573 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 15' ' ' ASP . 3.0 m80 -65.07 133.87 52.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -41.37 -27.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.433 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -74.56 -53.63 9.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.554 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -63.14 135.33 57.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.299 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -130.83 -8.23 3.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 18.3 m-85 -119.17 140.98 49.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.3 m -99.76 139.17 35.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.59 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.615 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 26.6 p90 -124.1 145.9 48.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.463 0.649 . . . . 0.0 112.038 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -117.83 90.46 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.566 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -77.37 110.26 11.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -10.86 44.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.198 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.577 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -74.75 123.72 7.64 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -152.8 75.93 6.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.342 . . . . 0.0 110.533 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.28 -36.54 1.79 Allowed 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.726 2.284 . . . . 0.0 112.052 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.83 39.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.312 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.11 111.07 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.761 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -161.59 78.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.286 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tp 66.54 3.42 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.283 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -108.86 77.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.591 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.58 ' O ' ' O ' ' A' ' 33' ' ' ILE . 3.8 mt -95.82 177.87 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.496 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.637 ' O ' HG22 ' A' ' 33' ' ' ILE . 1.4 mm 27.55 99.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.641 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mt -100.19 52.99 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.247 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -83.06 127.34 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 -179.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.615 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -158.43 -171.54 24.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.449 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -107.46 164.32 12.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.753 0.311 . . . . 0.0 110.523 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.79 130.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.743 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' ' C ' ' A' ' 40' ' ' SER . 0.8 OUTLIER -71.52 143.12 50.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.484 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 39' ' ' SER . 14.2 t 33.9 52.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.33 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 42' ' ' SER . 50.6 t -49.68 173.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.826 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.609 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 7.3 t -129.55 81.55 2.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.566 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 42' ' ' SER . 8.2 tm-20 -31.27 120.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.69 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.452 ' HB ' ' H ' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -131.23 176.22 8.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.42 179.817 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.96 -24.09 60.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.573 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.577 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 4.7 t-20 -112.49 -27.49 8.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.517 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.452 ' H ' ' HB ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -118.52 95.93 5.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.575 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -87.77 161.67 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.456 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.35 130.46 17.4 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.068 0.461 . . . . 0.0 111.333 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -110.94 -172.02 1.95 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.052 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 p -140.95 31.34 1.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.509 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.624 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -126.38 -171.55 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.459 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.624 ' H ' HG22 ' A' ' 52' ' ' THR . 0.0 OUTLIER -96.88 151.43 19.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.593 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 53' ' ' ASP . 7.0 ptt-85 33.4 39.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.696 ' SG ' ' ND2' ' A' ' 56' ' ' ASN . 9.4 p -79.04 -36.16 41.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.696 ' ND2' ' SG ' ' A' ' 55' ' ' CYS . 9.5 m120 -86.81 107.9 18.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.502 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.2 mttp . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.523 -179.908 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -152.59 157.0 40.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.009 0.433 . . . . 0.0 110.924 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -154.25 -160.97 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.911 179.434 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.538 ' CE1' HG23 ' A' ' 9' ' ' VAL . 38.0 m-85 -97.89 93.76 6.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.279 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -95.02 -38.8 10.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.186 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.34 43.54 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.658 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.9 -13.03 20.77 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.563 ' O ' HG13 ' A' ' 10' ' ' VAL . 3.6 mmmt -124.78 154.61 40.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 0.0 110.351 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.538 HG23 ' CE1' ' A' ' 4' ' ' TYR . 64.1 t -69.06 103.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.439 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 8' ' ' LYS . 2.2 m -125.18 153.57 32.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.63 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 11' ' ' THR . 2.2 t -80.57 107.49 13.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.764 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 11.2 m -63.58 158.86 20.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.068 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.32 174.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.989 0.423 . . . . 0.0 111.002 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.0 ttp85 -67.67 -41.84 83.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.561 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.611 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -52.27 -53.73 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.344 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.442 ' SD ' ' HB3' ' A' ' 12' ' ' CYS . 2.3 mtt -58.2 127.18 30.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . 8.2 mttt -128.64 -1.65 5.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.632 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.481 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 71.5 m-85 -140.22 139.75 35.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.126 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 m -100.73 137.3 39.31 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.656 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 40.5 p90 -121.01 145.01 48.22 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.829 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.589 ' CD2' ' ND2' ' A' ' 56' ' ' ASN . 1.7 t60 -119.52 111.19 17.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.746 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -79.71 144.26 33.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.055 0.455 . . . . 0.0 111.336 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.3 -22.5 6.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.102 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.502 ' CA ' ' OD1' ' A' ' 46' ' ' ASN . . . 63.49 -157.42 41.11 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.4 tpt -116.44 95.78 46.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.666 0.269 . . . . 0.0 110.444 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -79.82 78.28 3.76 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.581 2.187 . . . . 0.0 112.216 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 80.7 t80 -130.23 72.15 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.45 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 2.7 ttm180 62.29 44.28 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -137.49 -164.83 1.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.563 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.52 117.26 29.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.471 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -76.16 98.23 4.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.596 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 mt -92.48 158.43 16.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.553 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.9 mm -108.64 123.78 64.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.966 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.69 72.43 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.336 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.429 ' NE2' ' OD1' ' A' ' 56' ' ' ASN . 2.3 pt20 -104.78 134.02 48.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.661 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.656 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -171.0 177.76 43.8 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.71 163.03 12.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.802 0.334 . . . . 0.0 110.3 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.68 161.13 13.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.643 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.22 -72.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.397 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.3 p -83.77 55.91 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.329 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 18.4 t -50.47 146.18 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.801 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.63 83.04 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.459 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.562 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 16.7 tt0 -51.31 113.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.588 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 p -150.8 156.73 41.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.454 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 46' ' ' ASN . 10.8 pt-20 -49.66 -40.78 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.497 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.502 ' OD1' ' CA ' ' A' ' 24' ' ' GLY . 23.0 t30 -71.25 -44.25 65.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.157 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.462 HD21 ' HB2' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -132.56 111.41 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.287 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -81.27 175.53 10.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.923 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.562 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 80.9 m -142.46 128.52 19.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.336 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.75 169.78 12.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.426 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.22 28.81 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.481 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.78 163.15 19.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.457 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -77.21 123.12 26.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.873 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 66.61 28.45 9.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.857 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.8 t -53.95 -61.07 2.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.269 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.589 ' ND2' ' CD2' ' A' ' 21' ' ' HIS . 1.0 OUTLIER -62.97 128.11 34.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.369 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 tttm . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.531 -179.75 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' H ' ' HB3' ' A' ' 53' ' ' ASP . 3.8 pttt -169.73 156.14 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.83 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.83 160.16 43.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.202 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.606 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 37.7 m-85 -68.32 86.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.166 0.508 . . . . 0.0 110.892 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.603 ' NE2' ' CE1' ' A' ' 6' ' ' HIS . 0.3 OUTLIER -80.75 -55.1 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.15 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.603 ' CE1' ' NE2' ' A' ' 5' ' ' GLN . 1.5 m-70 -114.77 50.49 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.155 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.15 8.17 58.18 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -142.1 123.74 15.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.464 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.606 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -50.57 93.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.6 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 8' ' ' LYS . 12.0 m -115.92 142.71 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.755 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -68.29 121.01 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.503 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.549 ' O ' ' O ' ' A' ' 13' ' ' HIS . 60.6 m -73.65 -174.73 1.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.715 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.727 ' ND1' ' SD ' ' A' ' 16' ' ' MET . 2.7 m80 -51.09 -162.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -93.68 -32.66 13.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.408 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -81.4 -49.1 11.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.727 ' SD ' ' ND1' ' A' ' 13' ' ' HIS . 9.4 mtt -49.47 104.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.536 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -115.22 4.19 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.149 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.542 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 6.7 m-85 -130.05 133.74 46.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.784 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.5 m -99.49 134.05 42.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.655 ' CE2' ' C ' ' A' ' 36' ' ' GLY . 30.8 p90 -115.75 145.83 42.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.357 0.599 . . . . 0.0 111.571 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.663 ' N ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -113.82 109.89 19.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.672 179.4 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 23' ' ' THR . 27.6 t-20 -101.2 127.65 47.67 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.178 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.581 ' O ' ' O ' ' A' ' 24' ' ' GLY . 1.2 t -140.03 15.8 2.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.368 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.581 ' O ' ' O ' ' A' ' 23' ' ' THR . . . -27.49 149.94 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.27 59.01 3.72 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 110.647 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -56.91 -178.11 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.729 2.286 . . . . 0.0 111.691 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -54.98 -41.18 70.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.627 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -78.47 116.93 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -40.2 115.76 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.445 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -151.65 83.98 1.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.694 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -117.79 83.23 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.483 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 32' ' ' LEU . 51.8 mt -133.1 120.59 21.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.729 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 32' ' ' LEU . 5.0 mm -39.17 123.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.0 30.59 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.818 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 4' ' ' TYR . 6.3 pt20 -68.66 135.21 51.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.563 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.655 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -162.7 -176.99 35.34 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.94 162.38 13.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.389 . . . . 0.0 110.748 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 t -163.97 145.29 8.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.496 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -55.52 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.651 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.521 ' O ' ' OG ' ' A' ' 40' ' ' SER . 2.7 p -107.86 58.82 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.628 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 42.6 t -56.24 122.89 12.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.647 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.582 ' O ' ' OG1' ' A' ' 44' ' ' THR . 43.8 t -97.59 82.31 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.373 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.691 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 68.0 tt0 -36.03 131.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.667 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -159.69 151.58 20.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.449 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -41.99 -40.6 2.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.635 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.509 ' C ' ' OD1' ' A' ' 46' ' ' ASN . 14.1 t-20 -79.6 -46.56 17.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.381 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.667 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -125.16 112.95 17.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.464 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -86.8 -167.93 2.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.509 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.691 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 59.1 m -153.67 126.67 8.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.792 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -118.13 168.52 10.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.101 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 p -154.82 33.76 0.4 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.568 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -132.48 24.04 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.587 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER 49.79 164.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.518 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 53' ' ' ASP . 10.8 ttt180 37.27 20.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.979 0.418 . . . . 0.0 110.29 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.673 ' N ' ' O ' ' A' ' 53' ' ' ASP . 6.4 t -73.35 -53.22 11.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.716 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.664 ' N ' HD22 ' A' ' 56' ' ' ASN . 0.0 OUTLIER -55.0 95.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.777 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 56' ' ' ASN . 9.1 ttpt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.605 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.424 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -172.92 171.18 4.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.992 0.425 . . . . 0.0 110.952 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -160.93 -178.2 6.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.038 179.668 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.557 ' CZ ' HG22 ' A' ' 9' ' ' VAL . 41.2 m-85 -100.42 95.52 6.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.096 0.474 . . . . 0.0 110.788 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.507 ' HB2' HG21 ' A' ' 10' ' ' VAL . 22.3 tt0 -91.61 -45.36 8.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.717 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.49 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.6 t60 -124.87 51.53 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.626 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.64 -35.37 1.19 Allowed Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 6' ' ' HIS . 1.1 mttm -89.71 176.6 6.79 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.557 HG22 ' CZ ' ' A' ' 4' ' ' TYR . 17.3 t -95.98 107.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.527 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 5' ' ' GLN . 16.9 m -98.12 144.91 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.555 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.774 ' O ' HG22 ' A' ' 11' ' ' THR . 20.3 m -99.45 67.97 1.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -45.12 124.42 4.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.199 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.797 ' CD2' ' H ' ' A' ' 14' ' ' ARG . 40.5 t60 -152.58 -159.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.796 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.797 ' H ' ' CD2' ' A' ' 13' ' ' HIS . 0.4 OUTLIER 60.84 -3.48 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.562 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.549 ' H ' ' C ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER 173.34 -51.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.361 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.4 mtt -60.27 125.08 22.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.437 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.43 -8.6 5.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.718 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -134.75 140.21 45.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.193 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 38.8 m -99.62 141.2 32.73 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 5.0 p90 -127.57 159.93 33.12 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.844 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -137.15 98.22 3.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.732 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.456 ' OD1' ' C ' ' A' ' 22' ' ' ASN . 1.2 t-20 -84.27 109.26 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 0.0 110.714 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' GLY . 14.6 p -112.36 13.57 20.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.298 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.671 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -36.4 108.21 0.06 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.55 ' C ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -25.55 92.71 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.723 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.513 ' N ' ' O ' ' A' ' 24' ' ' GLY . 51.7 Cg_exo -50.18 -168.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.607 2.205 . . . . 0.0 111.922 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.567 ' O ' ' O ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -115.06 30.62 7.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.646 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.567 ' O ' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER 48.31 111.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.602 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -167.71 -53.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.478 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' HA ' HD12 ' A' ' 30' ' ' LEU . 28.3 tp -153.27 -11.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.522 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.2 tttp 72.78 59.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.694 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.73 ' H ' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -76.3 116.13 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.349 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.3 mm -70.51 132.72 32.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.625 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt -116.07 77.38 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.381 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.516 ' OE1' ' CB ' ' A' ' 56' ' ' ASN . 6.4 tt0 -125.33 130.09 51.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.587 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.61 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -164.8 -177.66 37.55 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.22 163.54 12.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.938 0.399 . . . . 0.0 110.787 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -164.4 140.58 6.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.623 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -39.37 80.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.486 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -125.98 82.52 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.562 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.2 t -80.99 156.81 25.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.403 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.565 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -114.14 84.11 1.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.644 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' SER . 4.9 tm-20 -38.36 128.09 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.752 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.59 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -160.76 146.02 14.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.483 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -42.21 -42.01 2.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.898 0.38 . . . . 0.0 110.18 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.671 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 2.2 t30 -81.85 -48.56 11.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.109 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -108.25 103.93 13.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.106 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -98.36 156.18 16.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.634 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m -133.57 120.82 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.022 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 19' ' ' CYS . 25.9 p -113.79 149.72 34.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.988 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.09 34.6 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.918 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -124.39 -153.45 0.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.306 179.715 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.8 m-20 -110.3 147.4 33.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.426 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' ASP . 25.7 ptt-85 37.04 30.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.576 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.4 p -86.95 -10.71 52.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.636 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.516 ' CB ' ' OE1' ' A' ' 35' ' ' GLN . 3.2 p-10 -39.35 -48.99 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.543 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.643 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 11' ' ' THR . 8.9 mp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -156.95 160.09 38.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -153.89 179.95 8.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.422 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.46 ' OH ' ' NH1' ' A' ' 54' ' ' ARG . 38.4 m-85 -86.41 90.69 8.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.629 ' OE1' ' SG ' ' A' ' 37' ' ' CYS . 2.2 tt0 -95.98 -34.8 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.03 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.73 32.08 4.42 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.883 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.27 -7.54 81.34 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.899 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -135.02 119.92 18.51 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.85 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -40.88 91.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.11 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.899 HG13 ' O ' ' A' ' 8' ' ' LYS . 19.8 m -108.73 143.23 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 1' ' ' LEU . 17.6 m -67.38 93.03 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.525 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 67.7 m -40.6 160.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.347 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.419 ' HB2' ' SD ' ' A' ' 16' ' ' MET . 30.1 m80 -43.14 166.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -68.62 -22.6 64.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.538 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.441 ' O ' ' OG ' ' A' ' 39' ' ' SER . 12.4 t70 -81.02 -46.5 14.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.37 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.419 ' SD ' ' HB2' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -63.65 116.22 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.353 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -118.03 6.57 12.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.773 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -137.88 132.98 33.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.712 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.7 m -103.14 148.05 26.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.683 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 36.6 p90 -142.57 150.9 40.98 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.747 -0.781 . . . . 0.0 111.713 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -115.39 104.14 11.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.873 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.4 ' HB3' ' H ' ' A' ' 34' ' ' LEU . 20.9 t-20 -75.35 137.87 41.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.836 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -131.11 5.07 4.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.34 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' THR . . . -33.49 -65.76 0.27 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.462 ' N ' ' HD3' ' A' ' 26' ' ' PRO . 0.0 OUTLIER 49.77 61.33 13.93 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 120.796 0.331 . . . . 0.0 110.905 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 25' ' ' MET . 35.2 Cg_exo -53.58 167.73 0.88 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.623 2.216 . . . . 0.0 112.134 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 29' ' ' ASN . 61.7 m-85 -66.1 -128.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.464 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -48.81 87.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.466 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 27' ' ' PHE . 9.5 m120 -151.48 -160.27 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.642 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.0 -15.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.582 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -78.79 77.77 5.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.363 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' ILE . 3.0 mt -61.51 -153.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.464 ' C ' ' O ' ' A' ' 32' ' ' LEU . 51.4 mt -33.56 140.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.843 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.4 ' H ' ' HB3' ' A' ' 22' ' ' ASN . 0.5 OUTLIER -128.38 58.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.54 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -76.25 140.76 41.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.674 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.683 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . 177.49 -176.49 48.07 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.629 ' SG ' ' OE1' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -106.28 167.01 10.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 0.0 110.485 179.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.17 128.68 0.88 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.659 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -63.79 -33.88 76.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.632 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.8 m -121.47 48.48 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.668 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 43.0 t -49.33 130.46 19.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.446 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.3 OUTLIER -90.38 90.57 8.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -47.5 119.57 2.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.5 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 42' ' ' SER . 0.2 OUTLIER -161.29 150.58 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.707 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -43.99 -37.61 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.634 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.566 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 22.8 t-20 -77.34 -37.43 52.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -128.83 108.73 10.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.317 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -98.19 133.75 42.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.534 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 m -103.0 131.78 49.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -114.98 -177.79 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.132 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 p -149.53 24.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.523 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 144.01 51.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.624 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.616 ' O ' ' CB ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -65.59 119.99 12.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.359 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.616 ' CB ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER 90.4 20.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.425 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -49.78 56.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.738 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.778 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -86.17 167.35 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.662 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.2 tttt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.644 -179.883 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.667 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -176.32 163.5 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.193 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.667 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 9.6 m -169.19 -173.78 1.83 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.832 0.349 . . . . 0.0 110.996 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.667 ' CE1' HG23 ' A' ' 9' ' ' VAL . 45.1 m-85 -87.23 93.69 9.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.682 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -89.54 -46.41 8.69 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.727 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -122.22 51.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.468 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.5 -9.05 16.25 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -128.94 152.2 48.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.504 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.667 HG23 ' CE1' ' A' ' 4' ' ' TYR . 47.3 t -71.31 104.28 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.709 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 m -130.75 144.32 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.0 m -68.09 113.19 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.577 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 m -64.61 -176.98 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.413 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.43 ' ND1' ' OD2' ' A' ' 15' ' ' ASP . 2.4 t-80 -67.26 161.2 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.54 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -61.51 -30.75 70.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.562 ' O ' ' OG ' ' A' ' 39' ' ' SER . 34.2 m-20 -62.76 -48.59 78.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -73.07 128.98 37.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.723 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 21.0 mtpt -128.11 2.97 5.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.491 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 17' ' ' LYS . 19.8 m-85 -137.52 144.54 42.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.954 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 m -99.49 134.87 41.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.49 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 28.8 p90 -118.24 147.52 43.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.337 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.434 ' NE2' HD11 ' A' ' 33' ' ' ILE . 7.7 t-160 -121.3 85.4 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.003 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.732 ' ND2' ' H ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -83.07 127.53 33.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.526 -179.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.574 ' N ' HD22 ' A' ' 22' ' ' ASN . 16.9 p -118.27 -4.59 10.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.679 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.732 ' H ' ' ND2' ' A' ' 22' ' ' ASN . . . -73.52 -166.45 12.01 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.9 mtt 38.77 65.81 2.99 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.723 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' O ' ' O ' ' A' ' 27' ' ' PHE . 35.7 Cg_endo -68.59 3.52 2.19 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.736 2.291 . . . . 0.0 111.926 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.632 ' O ' ' N ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER 42.42 98.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.632 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 50.45 -79.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.576 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.632 ' N ' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.53 -169.3 3.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.632 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.456 ' CB ' ' O ' ' A' ' 29' ' ' ASN . 1.2 tp 78.6 159.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.605 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -98.27 53.78 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.426 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.86 125.83 14.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.633 ' C ' HD12 ' A' ' 34' ' ' LEU . 7.0 tp -94.49 127.73 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.28 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.633 HD12 ' C ' ' A' ' 33' ' ' ILE . 10.8 mp -117.35 55.13 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.553 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.558 HE22 ' C ' ' A' ' 57' ' ' LYS . 1.3 tt0 -89.81 139.08 30.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.386 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.49 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -176.04 -166.41 33.36 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.74 162.91 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.014 0.435 . . . . 0.0 110.957 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 t -169.94 148.65 3.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.347 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.562 ' OG ' ' O ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -79.22 -50.72 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.768 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.43 45.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.749 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 25.8 t -46.6 118.72 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.4 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.07 90.22 4.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.624 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -57.83 135.21 56.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.512 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.65 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -160.67 -162.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.569 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.31 -29.26 26.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.468 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.84 -23.2 13.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.134 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.65 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -128.49 106.77 9.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.948 179.565 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.48 ' C ' ' SG ' ' A' ' 49' ' ' CYS . 35.8 mtmt -100.92 -175.27 2.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.36 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.48 ' SG ' ' C ' ' A' ' 48' ' ' LYS . 4.2 m -151.09 126.84 10.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.712 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.86 -177.14 3.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.988 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.8 p -166.44 25.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.294 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.533 ' O ' ' O ' ' A' ' 53' ' ' ASP . 7.5 m -110.75 26.62 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.685 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.681 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.2 m-20 54.57 153.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.132 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.552 ' C ' ' O ' ' A' ' 53' ' ' ASP . 3.9 ptm180 27.71 34.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.089 0.471 . . . . 0.0 110.119 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.681 ' N ' ' O ' ' A' ' 53' ' ' ASP . 35.1 t -82.88 -44.31 15.57 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.585 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.571 ' O ' ' OXT' ' A' ' 57' ' ' LYS . 52.2 p-10 -70.88 91.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.412 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.571 ' OXT' ' O ' ' A' ' 56' ' ' ASN . 39.1 mttt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.4 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.424 ' O ' HD12 ' A' ' 1' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 4.7 pttt -168.49 156.31 8.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.001 0.429 . . . . 0.0 111.25 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -158.99 -174.21 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.953 179.113 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.556 ' CZ ' HG22 ' A' ' 9' ' ' VAL . 40.5 m-85 -100.92 94.68 6.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.009 0.433 . . . . 0.0 110.687 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.584 ' HB2' HG21 ' A' ' 10' ' ' VAL . 56.3 tt0 -90.52 -52.71 4.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.61 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -126.84 40.49 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.05 -31.96 3.61 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -95.62 110.8 22.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.35 . . . . 0.0 110.6 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.556 HG22 ' CZ ' ' A' ' 4' ' ' TYR . 57.9 t -38.02 94.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.459 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.584 HG21 ' HB2' ' A' ' 5' ' ' GLN . 17.7 m -77.59 141.26 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.095 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' CYS . 4.1 t -93.42 54.17 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.771 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.465 ' SG ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -40.35 128.35 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.148 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.622 ' C ' ' H ' ' A' ' 15' ' ' ASP . 1.8 t-80 -163.44 -166.45 1.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.764 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.451 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 6.5 tpm_? 62.45 -13.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.768 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.622 ' H ' ' C ' ' A' ' 13' ' ' HIS . 19.0 t70 -166.58 -54.27 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.734 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.25 126.79 29.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -127.7 -8.16 5.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.232 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -129.82 137.91 50.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.823 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.487 ' C ' HD21 ' A' ' 56' ' ' ASN . 58.5 m -102.2 139.97 37.11 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.634 ' CE1' ' N ' ' A' ' 36' ' ' GLY . 23.3 p90 -125.31 149.2 48.29 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.793 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.93 85.53 2.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.164 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 16.5 t-20 -63.55 127.98 33.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.797 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.61 -20.25 13.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.365 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.649 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -50.96 149.71 6.86 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -113.55 135.76 21.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.87 176.42 9.89 Favored 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 122.572 2.181 . . . . 0.0 112.19 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.538 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -63.71 -47.68 80.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.507 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.583 ' C ' ' H ' ' A' ' 30' ' ' LEU . 46.9 mtm180 -70.73 133.16 46.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.476 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -68.63 33.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.565 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' H ' ' C ' ' A' ' 28' ' ' ARG . 4.8 mp -134.11 162.09 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt 50.84 65.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.625 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mp -87.27 23.44 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.437 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 mm -122.71 130.87 74.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.334 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 0.5 OUTLIER -145.09 51.03 1.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.261 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -98.44 139.16 34.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.428 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.634 ' N ' ' CE1' ' A' ' 20' ' ' TYR . . . -165.67 -163.11 18.42 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.56 165.53 14.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.061 0.457 . . . . 0.0 110.808 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -173.24 164.62 4.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.446 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.495 ' OG ' ' OD2' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -87.67 -43.51 11.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.393 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.8 t -117.74 72.31 0.85 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.403 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 42.9 t -66.17 144.34 56.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.477 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.97 86.69 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.652 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' C ' ' OG1' ' A' ' 44' ' ' THR . 33.4 tt0 -49.77 142.24 8.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.698 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.606 ' O ' ' N ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -177.46 139.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.521 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 44' ' ' THR . 1.6 mm-40 -37.11 -23.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.742 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.649 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 58.8 t-20 -91.91 -39.14 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.507 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -130.83 117.9 20.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.562 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.51 166.74 11.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 m -137.97 124.09 20.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.03 -165.23 1.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.003 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.577 ' O ' ' OG ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -158.1 23.33 0.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.971 0.415 . . . . 0.0 110.568 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.736 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -129.27 -162.71 1.22 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.142 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.736 ' H ' HG22 ' A' ' 52' ' ' THR . 0.0 OUTLIER -93.57 144.32 25.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.419 179.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 53' ' ' ASP . 11.7 ptt180 34.41 46.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.506 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.6 t -75.75 -30.64 59.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.373 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.546 ' OD1' ' N ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -82.82 43.79 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.387 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.536 ' O ' ' O ' ' A' ' 56' ' ' ASN . 6.2 mtpm? . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.415 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 17' ' ' LYS . 6.3 mt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.445 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -126.38 155.59 41.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.814 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.494 ' HB3' HD21 ' A' ' 56' ' ' ASN . 0.0 OUTLIER -154.48 -176.38 5.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.369 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.401 ' CE1' HG22 ' A' ' 9' ' ' VAL . 39.0 m-85 -101.0 95.42 6.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.002 0.43 . . . . 0.0 110.458 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.456 ' OE1' ' SG ' ' A' ' 37' ' ' CYS . 16.6 tt0 -97.96 -31.11 12.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.319 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -136.37 44.22 2.42 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.05 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.74 -38.33 2.81 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -92.28 -178.53 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.401 HG22 ' CE1' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -98.41 103.74 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.931 0.395 . . . . 0.0 110.816 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.427 HG21 ' CB ' ' A' ' 5' ' ' GLN . 24.4 m -90.3 151.32 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.275 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.18 66.17 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.749 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 m -44.32 130.34 6.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.122 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.536 ' C ' ' H ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -155.62 -155.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.967 -179.434 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.485 ' C ' ' CG ' ' A' ' 15' ' ' ASP . 18.0 ttt180 63.02 -5.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.606 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.601 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER 164.98 -42.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.517 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.3 mtt -65.61 105.72 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.554 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.484 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 53.5 mttt -116.02 12.28 15.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.701 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 17' ' ' LYS . 67.6 m-85 -147.07 139.59 24.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.405 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 7.5 m -100.52 142.77 31.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.637 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 5.7 p90 -128.35 146.09 50.87 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.689 -179.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.685 ' CG ' ' OE1' ' A' ' 35' ' ' GLN . 4.2 t60 -117.25 91.62 3.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.627 179.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.601 ' CG ' HD21 ' A' ' 47' ' ' ASN . 15.4 t30 -76.91 119.85 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.375 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 24' ' ' GLY . 24.7 p -99.41 -16.81 18.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.693 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.498 ' N ' ' OD1' ' A' ' 22' ' ' ASN . . . 42.31 -166.67 0.01 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.78 168.11 22.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.916 0.389 . . . . 0.0 110.529 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.569 ' O ' ' O ' ' A' ' 27' ' ' PHE . 72.9 Cg_exo -42.9 -68.58 0.1 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.907 2.405 . . . . 0.0 112.157 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.569 ' O ' ' O ' ' A' ' 26' ' ' PRO . 2.4 m-85 52.39 156.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.586 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -157.41 97.23 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.493 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.586 ' ND2' ' N ' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -137.17 -90.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.775 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.4 ' H ' ' CG ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -143.51 -67.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.606 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -87.55 87.61 7.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.712 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.2 mt -91.22 35.39 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.45 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.467 ' HA ' HD13 ' A' ' 33' ' ' ILE . 6.6 mm -124.6 128.9 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.555 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.2 71.3 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.579 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.685 ' OE1' ' CG ' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -98.23 142.57 29.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.472 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.637 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -174.67 163.72 34.29 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.456 ' SG ' ' OE1' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -96.54 168.98 10.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.884 0.373 . . . . 0.0 110.739 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -168.71 160.14 10.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.495 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.5 t -96.44 -21.01 18.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' CYS . 0.9 OUTLIER -135.31 36.47 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.745 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 48' ' ' LYS . 36.8 t -36.56 129.46 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.63 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.3 p -86.95 85.86 7.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.691 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.562 ' O ' HG23 ' A' ' 44' ' ' THR . 20.4 tt0 -53.56 125.55 18.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.762 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.627 ' N ' ' O ' ' A' ' 47' ' ' ASN . 1.2 p -158.51 -176.24 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.445 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.31 -35.08 73.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 24' ' ' GLY . 3.8 t-20 -86.88 -46.19 10.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.942 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.627 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.6 m-80 -116.19 116.3 27.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.261 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.49 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 2.0 mtpm? -97.43 -177.25 3.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 8.9 m -152.7 130.81 11.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.624 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 p -142.66 153.4 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.62 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.529 ' O ' ' OG ' ' A' ' 51' ' ' SER . 4.0 t -139.78 42.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.56 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.28 24.27 12.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.581 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.56 ' O ' ' O ' ' A' ' 52' ' ' THR . 1.1 m-20 53.88 127.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 58.8 29.3 18.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 56' ' ' ASN . 29.9 p -71.11 -38.71 72.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.605 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.544 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -89.98 74.95 7.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.61 -179.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 pttm . . . . . 0 C--O 1.219 -0.552 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.592 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.46 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -168.08 158.55 10.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.896 -179.792 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.577 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -155.08 179.01 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.409 179.624 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.908 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 37.9 m-85 -82.07 89.0 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.732 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.44 ' HG3' ' SG ' ' A' ' 37' ' ' CYS . 2.6 tt0 -89.35 -40.31 12.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.713 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -126.13 48.33 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.65 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.32 -6.63 21.54 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.32 129.46 39.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 0.0 110.427 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.908 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -55.27 99.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.514 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.54 162.76 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.3 m -75.52 97.17 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.577 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 63.1 m -49.71 152.0 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.262 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.566 ' O ' ' O ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -35.71 163.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.608 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -36.83 84.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.69 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -39.38 68.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.35 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.456 ' SD ' ' HB2' ' A' ' 13' ' ' HIS . 24.1 mtt -68.3 106.86 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.394 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -120.27 14.11 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 14.3 m-85 -142.0 130.58 22.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.313 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 m -100.46 141.15 33.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.636 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.641 ' CE1' ' C ' ' A' ' 36' ' ' GLY . 43.9 p90 -122.86 145.79 48.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.231 0.538 . . . . 0.0 111.686 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.651 ' N ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -113.81 85.6 2.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.837 179.307 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.514 ' C ' ' OD1' ' A' ' 22' ' ' ASN . 10.3 t-20 -81.36 130.76 35.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.027 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.28 -19.86 12.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.209 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' OD1' ' A' ' 46' ' ' ASN . . . 48.17 -112.98 1.27 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -115.74 88.57 20.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.777 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -80.61 13.25 2.33 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.774 2.316 . . . . 0.0 112.063 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.96 -0.3 25.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.593 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.17 -44.67 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.606 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.547 ' C ' ' H ' ' A' ' 31' ' ' LYS . 12.6 t-20 -144.44 -21.72 0.54 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.504 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tt 68.36 -37.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.679 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.547 ' H ' ' C ' ' A' ' 29' ' ' ASN . 17.4 ttmt -84.19 55.77 3.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.584 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -131.22 39.16 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.7 mm -41.83 126.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.762 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mt -125.44 56.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.515 HE21 ' HB2' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -86.57 139.41 30.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.814 -179.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.641 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -172.46 -174.68 39.94 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.44 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -116.8 166.53 12.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.024 0.44 . . . . 0.0 110.86 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.44 166.35 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.82 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -45.95 5.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.124 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.592 ' O ' ' O ' ' A' ' 41' ' ' CYS . 0.3 OUTLIER -109.89 52.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.065 179.529 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.737 ' SG ' ' N ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -37.28 170.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.142 -179.652 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.737 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 31.6 t -143.42 58.48 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.17 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' C ' ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -28.94 145.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.763 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.634 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -167.16 -171.91 1.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.638 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.34 -32.74 37.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -97.81 -18.26 18.86 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.633 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.634 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -131.5 110.01 10.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.077 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.485 ' HB2' ' ND1' ' A' ' 21' ' ' HIS . 2.2 mptp? -95.76 171.99 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.68 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.2 m -143.97 139.42 29.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.965 0.412 . . . . 0.0 111.383 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 t -135.88 156.63 48.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.439 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.548 ' O ' ' OG ' ' A' ' 51' ' ' SER . 1.5 t -122.66 24.1 9.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.504 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.93 161.46 18.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.566 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.41 128.78 33.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.417 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 64.59 35.47 9.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.005 0.431 . . . . 0.0 110.123 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.4 t -76.9 -39.58 50.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.468 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.515 ' HB2' HE21 ' A' ' 35' ' ' GLN . 0.1 OUTLIER -79.93 178.09 8.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.634 -179.743 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.456 ' H ' HE21 ' A' ' 35' ' ' GLN . 30.8 tptt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.436 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.718 ' O ' HG23 ' A' ' 11' ' ' THR . 11.3 mt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.623 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -168.02 -177.73 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.539 179.798 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.623 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -173.42 176.79 2.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.62 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.634 ' CE1' HG23 ' A' ' 9' ' ' VAL . 30.6 m-85 -79.08 86.6 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.056 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.563 ' OE1' ' SG ' ' A' ' 12' ' ' CYS . 1.1 tt0 -89.67 -44.25 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.067 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.62 37.73 4.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.784 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.18 -6.28 83.74 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.715 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -137.39 125.28 22.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.684 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.634 HG23 ' CE1' ' A' ' 4' ' ' TYR . 16.8 t -44.31 98.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.243 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 8' ' ' LYS . 15.9 m -121.38 151.54 24.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.718 HG23 ' O ' ' A' ' 1' ' ' LEU . 12.4 m -78.99 107.6 11.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.395 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.563 ' SG ' ' OE1' ' A' ' 5' ' ' GLN . 1.2 m -58.74 -166.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.333 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -53.04 174.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.115 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -88.48 3.42 50.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.626 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -112.1 -23.59 10.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.749 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.522 ' SD ' ' C ' ' A' ' 37' ' ' CYS . 55.3 mtt -86.42 123.82 32.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 0.0 110.814 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -117.28 -7.53 11.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.719 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -115.67 135.68 53.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.004 0.43 . . . . 0.0 110.686 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.7 m -105.63 148.91 26.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.353 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.686 ' CD2' ' O ' ' A' ' 36' ' ' GLY . 21.9 p90 -143.11 159.92 41.38 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.607 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -125.66 87.82 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.945 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.716 HD21 ' ND2' ' A' ' 47' ' ' ASN . 1.2 m-80 -65.72 137.83 57.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.72 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 p -111.32 -21.53 11.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.54 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.494 ' C ' ' OD1' ' A' ' 46' ' ' ASN . . . 60.36 -167.96 9.41 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.5 mtt -54.09 143.7 42.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.346 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -72.57 111.37 3.21 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.642 2.228 . . . . 0.0 112.277 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -132.14 -176.28 4.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.435 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -124.55 0.5 8.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.897 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.606 ' OD1' ' N ' ' A' ' 30' ' ' LEU . 30.9 p-10 -58.02 -18.67 25.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.606 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 2.9 tp 57.09 40.42 28.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.778 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.41 56.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' HG ' HD21 ' A' ' 29' ' ' ASN . 6.2 mt -134.47 83.92 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.1 tp -114.96 104.21 16.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.731 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 33' ' ' ILE . 7.8 mp -117.64 21.24 13.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.16 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.439 ' CD ' ' O ' ' A' ' 4' ' ' TYR . 16.7 pt20 -57.87 135.51 56.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.908 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.686 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -168.42 -179.99 41.09 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.546 -1.021 . . . . 0.0 110.546 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.522 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -108.91 168.03 9.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.019 0.438 . . . . 0.0 110.891 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.427 ' HA ' ' SD ' ' A' ' 16' ' ' MET . 0.3 OUTLIER -159.02 162.38 36.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.762 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.05 -28.58 17.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.423 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.5 ' O ' ' C ' ' A' ' 41' ' ' CYS . 1.3 m -132.35 33.45 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.376 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 40' ' ' SER . 16.0 t -30.64 125.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.669 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' ' C ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -93.69 79.62 4.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.536 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.574 ' OE2' ' O ' ' A' ' 49' ' ' CYS . 10.0 mm-40 -32.44 140.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -161.35 174.23 13.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.543 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.504 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 6.8 tm-20 -74.36 -26.13 59.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.479 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.494 ' OD1' ' C ' ' A' ' 24' ' ' GLY . 0.4 OUTLIER -97.84 -12.09 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.957 179.717 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.716 ' ND2' HD21 ' A' ' 22' ' ' ASN . 9.3 t-20 -144.83 113.81 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.169 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -105.79 138.36 42.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.756 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.574 ' O ' ' OE2' ' A' ' 43' ' ' GLU . 2.5 m -113.43 127.82 56.24 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.1 t -106.68 170.81 7.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.189 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.571 ' O ' ' OG ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -128.63 22.81 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 110.586 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.481 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -123.7 -169.52 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.446 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.4 m-20 -90.7 153.58 20.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.512 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER 35.2 25.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.185 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.644 ' N ' ' O ' ' A' ' 53' ' ' ASP . 24.0 t -104.73 3.73 31.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.526 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.7 p-10 -30.89 -32.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.219 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.641 ' N ' ' O ' ' A' ' 55' ' ' CYS . 5.9 mmtp . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.505 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.45 -177.37 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.668 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.643 ' SG ' ' ND2' ' A' ' 56' ' ' ASN . 0.5 OUTLIER -173.07 171.99 4.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.681 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.814 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 39.3 m-85 -79.12 89.92 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.747 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -96.89 -27.97 14.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.492 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -138.91 44.57 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.519 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.6 2.88 70.59 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.827 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -143.95 126.6 16.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.556 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.814 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 3.5 m -51.85 95.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.377 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.827 HG13 ' O ' ' A' ' 8' ' ' LYS . 31.6 m -112.77 153.88 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.653 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.609 ' O ' HG22 ' A' ' 11' ' ' THR . 6.2 m -75.67 86.29 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.962 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.501 ' O ' ' O ' ' A' ' 11' ' ' THR . 24.3 m -42.91 170.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.063 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -61.77 166.38 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.919 0.39 . . . . 0.0 111.052 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -29.13 70.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.196 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -40.45 97.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.364 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.0 mtt -74.82 113.57 12.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.817 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' C ' ' CG ' ' A' ' 18' ' ' PHE . 4.2 mttt -120.57 17.8 12.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.997 0.427 . . . . 0.0 110.011 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.403 ' CG ' ' C ' ' A' ' 17' ' ' LYS . 43.9 m-85 -152.77 134.44 14.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.268 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 56' ' ' ASN . 23.1 t -99.43 152.99 19.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.66 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 38.5 p90 -141.37 145.73 35.76 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.9 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -114.49 94.03 4.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.892 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -90.09 130.99 36.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.988 0.423 . . . . 0.0 111.151 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.612 ' OG1' ' ND2' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -95.33 -31.17 13.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.283 179.65 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . 60.76 151.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.455 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 1.1 ttt -158.38 54.01 0.69 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.926 0.393 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 25' ' ' MET . 46.4 Cg_endo -72.17 -83.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.762 2.308 . . . . 0.0 112.17 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.94 -93.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.555 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -118.95 -179.95 3.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.542 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' LEU . 13.2 t-20 -47.66 -69.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.522 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 29' ' ' ASN . 2.4 mm? 43.98 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -132.54 57.07 1.81 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 mp -79.08 124.85 28.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.587 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.518 ' C ' HD12 ' A' ' 34' ' ' LEU . 3.6 tt -106.46 126.22 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.513 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 33' ' ' ILE . 6.5 mp -124.0 52.27 1.48 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.347 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.673 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -70.36 140.72 52.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.84 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.66 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . -172.2 176.54 45.2 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 164.5 11.88 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.705 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 t -167.81 141.26 3.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.687 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.401 ' HA ' ' H ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -75.94 -10.73 59.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.469 179.855 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.549 ' O ' ' OG ' ' A' ' 40' ' ' SER . 1.6 t -152.12 56.46 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 42' ' ' SER . 1.9 t -50.41 152.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.775 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.532 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -102.58 88.03 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.392 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.66 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 31.1 tt0 -59.74 121.89 12.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.685 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -151.25 -146.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.514 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -93.61 -39.81 10.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.737 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.612 ' ND2' ' OG1' ' A' ' 23' ' ' THR . 0.8 OUTLIER -92.05 -30.09 16.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.302 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 42' ' ' SER . 4.6 t30 -121.54 112.35 18.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.513 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -103.8 158.08 16.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.699 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.66 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 9.8 m -117.67 137.54 52.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.11 -173.23 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.315 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 m -156.45 26.67 0.34 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.256 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.569 HG22 ' N ' ' A' ' 53' ' ' ASP . 58.0 m -135.9 163.53 30.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.586 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.569 ' N ' HG22 ' A' ' 52' ' ' THR . 0.0 OUTLIER -75.65 135.56 40.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.33 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 66.07 34.64 6.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.475 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.76 -45.77 16.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.337 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.792 HD21 ' H ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -77.67 173.03 12.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.542 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.486 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 11' ' ' THR . 2.5 mm? . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 171.08 19.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.535 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 t -166.63 -163.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.276 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.464 ' HB3' HE21 ' A' ' 35' ' ' GLN . 25.3 m-85 -90.66 91.77 8.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.09 0.472 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' A' ' 5' ' ' GLN . 3.8 tt0 -90.67 -41.12 11.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.795 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -132.41 43.96 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.661 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.59 1.8 72.77 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.582 ' O ' HG22 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -136.93 121.0 17.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.784 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.442 HG23 ' CZ ' ' A' ' 4' ' ' TYR . 93.6 t -44.06 100.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.32 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 8' ' ' LYS . 16.7 m -136.04 157.87 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.819 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 1' ' ' LEU . 26.0 m -76.33 108.85 9.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.606 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.406 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 0.5 OUTLIER -58.55 -163.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.313 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.676 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.8 t-80 -132.15 -147.75 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.713 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 37.45 20.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.272 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.676 ' N ' ' O ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER 55.87 59.55 3.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.304 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.702 ' SD ' ' N ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -64.57 140.6 58.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.421 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.565 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 1.9 tmtt? -120.82 -2.22 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.655 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.702 ' N ' ' SD ' ' A' ' 16' ' ' MET . 54.9 m-85 -149.75 141.05 23.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.975 0.417 . . . . 0.0 111.022 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.475 ' HB3' ' SG ' ' A' ' 50' ' ' CYS . 24.3 t -101.67 153.09 20.08 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.67 ' CE2' ' C ' ' A' ' 36' ' ' GLY . 52.5 p90 -140.6 135.52 31.85 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.936 -0.706 . . . . 0.0 111.764 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.747 ' CG ' ' ND2' ' A' ' 56' ' ' ASN . 6.4 t-160 -103.11 86.42 2.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.849 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -64.94 129.55 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.0 t -138.03 5.25 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.62 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 23' ' ' THR . . . -27.04 146.27 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.7 mmt -121.72 72.94 32.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.75 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.37 -157.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.624 2.216 . . . . 0.0 112.081 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.551 ' O ' ' O ' ' A' ' 28' ' ' ARG . 1.8 m-85 -89.92 157.65 17.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.826 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.551 ' O ' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER 54.17 146.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.815 179.703 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 71.87 161.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.858 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.612 ' H ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -144.06 149.5 36.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.382 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tttp 54.5 80.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.575 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.89 141.46 33.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.728 HD12 ' OE1' ' A' ' 35' ' ' GLN . 3.3 mm -107.85 111.53 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.762 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mt -135.05 38.54 2.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.377 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.728 ' OE1' HD12 ' A' ' 33' ' ' ILE . 5.1 pt20 -72.95 137.82 45.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.62 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.67 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -165.25 -179.45 39.11 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.39 159.91 22.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.772 0.32 . . . . 0.0 110.592 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.515 ' C ' ' H ' ' A' ' 40' ' ' SER . 1.9 t -166.81 146.23 5.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.716 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.507 ' O ' ' OG ' ' A' ' 39' ' ' SER . 1.3 t -73.04 18.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.342 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.515 ' H ' ' C ' ' A' ' 38' ' ' SER . 0.3 OUTLIER -176.64 87.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.488 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.689 ' SG ' ' N ' ' A' ' 42' ' ' SER . 23.4 t -84.85 168.97 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.694 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.689 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 42.1 t -121.84 95.43 4.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.479 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.601 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 0.4 OUTLIER -55.97 95.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.425 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 47' ' ' ASN . 1.0 OUTLIER -147.37 141.93 26.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.709 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -42.48 -24.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.971 0.415 . . . . 0.0 110.208 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -80.63 -42.94 21.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.179 179.587 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.614 ' ND2' ' SG ' ' A' ' 41' ' ' CYS . 0.2 OUTLIER -136.51 107.86 6.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.392 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -76.79 164.17 26.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.605 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 31.4 m -130.64 135.8 48.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.892 0.377 . . . . 0.0 111.068 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.701 ' SG ' ' N ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -118.22 177.97 4.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.558 179.229 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.701 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 2.9 t -150.02 31.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.555 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 1.8 m -144.47 148.91 35.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.403 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.01 129.12 38.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.478 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 72.17 30.04 2.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.673 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.555 ' SG ' ' O ' ' A' ' 52' ' ' THR . 2.4 p -77.66 -56.83 4.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.519 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.747 ' ND2' ' CG ' ' A' ' 21' ' ' HIS . 2.5 t-20 -66.52 166.3 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.445 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.563 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.491 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 11' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.572 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 3.1 pttt -160.75 163.43 32.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.572 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -168.54 -168.32 0.89 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.087 179.716 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.601 ' CE1' HG23 ' A' ' 9' ' ' VAL . 49.5 m-85 -96.88 93.43 6.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.126 0.489 . . . . 0.0 110.551 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.405 ' O ' ' CD ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -96.18 -24.82 16.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.931 -179.715 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.0 t-80 -142.09 47.79 1.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.603 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.54 -29.57 2.28 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 6' ' ' HIS . 1.5 mttt -108.78 163.93 12.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 0.0 110.614 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.601 HG23 ' CE1' ' A' ' 4' ' ' TYR . 68.0 t -78.38 101.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.65 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.51 155.94 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.339 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.553 ' O ' HG22 ' A' ' 11' ' ' THR . 15.9 m -95.52 88.35 5.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.387 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.6 m -56.59 164.83 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.589 ' C ' ' H ' ' A' ' 15' ' ' ASP . 2.7 t-160 -174.46 -147.31 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.861 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.56 ' O ' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER 61.55 -6.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.342 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.589 ' H ' ' C ' ' A' ' 13' ' ' HIS . 1.5 m-20 156.56 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.454 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.0 mtt -59.38 113.2 2.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.647 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -119.46 -3.91 10.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.639 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -133.02 141.87 48.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 50' ' ' CYS . 14.1 m -100.26 130.95 46.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.651 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 8.7 p90 -109.85 153.97 23.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.116 0.484 . . . . 0.0 111.321 -179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.644 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 4.7 t60 -120.51 81.66 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.933 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.61 ' ND2' HD21 ' A' ' 46' ' ' ASN . 0.2 OUTLIER -78.61 125.53 29.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.297 -179.27 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.516 ' O ' ' O ' ' A' ' 24' ' ' GLY . 2.1 p -100.03 -20.59 15.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.202 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.794 ' H ' HD21 ' A' ' 46' ' ' ASN . . . 48.65 172.72 0.01 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.4 ' N ' ' HD3' ' A' ' 26' ' ' PRO . 11.0 ttp -175.01 58.97 0.2 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.856 0.36 . . . . 0.0 110.628 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 25' ' ' MET . 61.3 Cg_endo -77.6 -40.0 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.888 2.392 . . . . 0.0 112.341 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -134.42 167.4 20.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.792 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -73.02 117.63 14.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.304 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.539 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.7 OUTLIER 46.56 58.43 4.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.324 -179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.567 ' O ' ' O ' ' A' ' 31' ' ' LYS . 5.1 tp -156.85 132.33 9.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.637 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.853 ' C ' HD23 ' A' ' 32' ' ' LEU . 2.9 mtmt 44.96 106.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.514 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.853 HD23 ' C ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -147.64 -170.58 3.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.789 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.614 ' O ' ' O ' ' A' ' 32' ' ' LEU . 1.1 mp 45.92 116.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -137.08 26.85 2.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.241 179.666 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.442 ' OE1' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -35.95 129.49 0.65 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.718 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.487 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -165.28 -175.12 35.62 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.19 163.07 13.1 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.822 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 t -173.77 153.25 2.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.447 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.74 -85.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.571 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' CYS . 2.7 m -74.41 45.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.434 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' SER . 49.9 t -40.02 145.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.255 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.577 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.7 OUTLIER -107.37 81.31 1.51 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.811 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.753 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -46.77 115.96 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.335 179.642 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.625 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -146.73 -173.79 4.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.554 -179.834 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.26 -44.35 72.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.364 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.794 HD21 ' H ' ' A' ' 24' ' ' GLY . 6.8 t30 -88.39 -36.3 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.538 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.625 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.2 t-20 -119.55 101.7 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.615 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -86.25 -171.61 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.884 -179.787 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.753 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 45.1 m -154.79 126.79 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.217 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' CYS . 17.0 p -145.49 174.51 11.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 0.0 110.865 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.09 25.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.331 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.86 22.77 9.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.702 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER 66.26 144.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.704 179.809 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER 34.22 25.31 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.355 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.669 ' N ' ' O ' ' A' ' 53' ' ' ASP . 11.4 p -91.3 -5.43 54.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.697 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.644 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 1.9 p-10 -62.97 10.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.397 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.614 ' H ' ' C ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.536 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.593 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -160.58 157.43 27.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.593 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 72.4 m -156.51 -174.1 4.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 110.805 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.474 ' CZ ' HG13 ' A' ' 9' ' ' VAL . 58.2 m-85 -79.96 91.28 5.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.253 0.549 . . . . 0.0 110.406 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.4 ' HB3' ' CG2' ' A' ' 10' ' ' VAL . 1.6 tt0 -102.64 -16.06 16.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.084 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -150.62 35.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.756 0.312 . . . . 0.0 110.594 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.99 -26.22 13.83 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.68 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -122.19 138.43 54.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.738 0.304 . . . . 0.0 110.496 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.474 HG13 ' CZ ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -52.77 98.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.518 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 8' ' ' LYS . 35.5 m -118.28 152.35 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.6 m -79.0 119.05 21.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.502 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.7 m -65.98 -149.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.608 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.682 ' CD2' ' H ' ' A' ' 14' ' ' ARG . 3.7 t60 -78.41 -175.96 4.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.682 ' H ' ' CD2' ' A' ' 13' ' ' HIS . 21.6 mtp180 -91.99 9.24 33.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.597 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -115.78 -41.16 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.614 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.8 mpt? -60.2 135.58 57.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -132.85 -3.57 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.808 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -125.98 134.5 51.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.603 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.625 ' O ' ' N ' ' A' ' 50' ' ' CYS . 78.1 m -101.66 140.21 36.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.776 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.521 ' CA ' HD21 ' A' ' 56' ' ' ASN . 33.6 p90 -128.6 146.76 50.76 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.224 -0.591 . . . . 0.0 111.539 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -114.47 90.15 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.805 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -83.42 125.28 31.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.401 . . . . 0.0 111.052 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -102.18 -17.72 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.257 179.67 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.616 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . 48.94 -88.06 0.01 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.522 ' N ' ' O ' ' A' ' 23' ' ' THR . 4.8 mmt -117.31 144.32 33.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.445 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.491 ' O ' ' C ' ' A' ' 27' ' ' PHE . 37.9 Cg_endo -68.53 120.83 7.75 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.658 2.238 . . . . 0.0 112.181 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' A' ' 26' ' ' PRO . 24.7 m-85 -32.16 98.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.641 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.1 OUTLIER -118.23 -33.05 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.46 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -164.4 22.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.54 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -175.22 179.75 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.567 ' C ' ' H ' ' A' ' 33' ' ' ILE . 12.6 mmtm -123.16 76.37 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.53 32.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.781 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.567 ' H ' ' C ' ' A' ' 31' ' ' LYS . 1.2 tp -45.91 128.79 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.298 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt -139.37 25.55 2.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.959 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -66.29 132.57 48.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.298 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.52 ' C ' ' CE1' ' A' ' 20' ' ' TYR . . . -167.27 -154.28 8.43 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.61 166.53 15.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.04 0.447 . . . . 0.0 110.951 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.8 t -158.66 170.68 21.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.459 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.19 -17.98 17.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.406 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 41' ' ' CYS . 61.2 m -145.49 44.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.43 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 48' ' ' LYS . 43.5 t -33.72 139.89 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.679 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.545 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.6 OUTLIER -107.04 76.26 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.511 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.773 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 1.4 tt0 -37.18 126.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.736 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.674 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -159.05 174.01 15.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.448 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.23 -38.21 88.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.591 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.616 ' ND2' ' N ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -89.67 -35.61 15.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.538 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.674 ' O ' ' N ' ' A' ' 44' ' ' THR . 1.2 t30 -126.04 106.94 9.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.458 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 8.2 mtpp -87.73 -169.11 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.941 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.773 ' SG ' ' N ' ' A' ' 43' ' ' GLU . 64.4 m -147.86 137.24 22.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.51 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.625 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -118.67 -167.58 1.4 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.524 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.477 ' O ' HG22 ' A' ' 52' ' ' THR . 16.7 m -131.28 32.29 4.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.523 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER 77.69 164.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.163 179.53 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.661 ' O ' ' N ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER 81.33 63.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.572 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' ASP . 1.0 OUTLIER 37.23 21.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.345 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.661 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.8 t -61.73 -18.73 60.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.729 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.521 HD21 ' CA ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -65.59 10.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.334 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.552 ' H ' ' C ' ' A' ' 55' ' ' CYS . 7.2 ptmt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.666 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.573 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -151.52 161.27 42.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.726 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.573 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -165.55 -172.95 2.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.575 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.78 ' H ' HD21 ' A' ' 56' ' ' ASN . 27.9 m-85 -90.99 94.12 9.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.022 0.439 . . . . 0.0 110.214 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -90.86 -41.2 11.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.185 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -127.91 47.46 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.991 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.04 -1.47 59.36 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' O ' HG13 ' A' ' 10' ' ' VAL . 3.3 mttt -133.48 158.38 43.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.778 0.323 . . . . 0.0 110.335 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.3 t -74.78 103.82 2.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.373 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -111.68 146.4 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.817 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 11' ' ' THR . 10.2 t -97.35 98.62 10.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.407 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -174.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -57.83 170.2 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.696 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -21.15 63.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.605 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -75.28 -63.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.571 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.3 mtt -45.71 116.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.721 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -121.92 1.01 9.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.315 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -128.29 136.26 50.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.8 m -101.79 132.79 47.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.65 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.667 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 31.9 p90 -117.22 150.62 38.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.352 0.596 . . . . 0.0 111.826 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.407 ' CD2' ' HB3' ' A' ' 35' ' ' GLN . 2.8 t-160 -125.4 106.1 9.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.793 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.563 ' OD1' ' OD1' ' A' ' 46' ' ' ASN . 0.7 OUTLIER -84.2 131.83 34.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.906 0.384 . . . . 0.0 110.739 -179.524 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p -107.73 -16.64 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.334 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.465 ' HA2' HD21 ' A' ' 46' ' ' ASN . . . 66.43 -163.28 43.04 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.581 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -117.81 95.9 48.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.587 0.232 . . . . 0.0 110.618 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -47.11 78.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.704 2.269 . . . . 0.0 112.303 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.581 ' N ' ' O ' ' A' ' 25' ' ' MET . 0.5 OUTLIER -129.47 -86.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.326 179.804 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 29' ' ' ASN . 3.9 ptp180 -99.74 117.09 33.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.227 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.459 ' O ' ' O ' ' A' ' 28' ' ' ARG . 7.3 t30 48.69 179.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.249 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.1 mt -122.44 136.92 55.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.886 0.374 . . . . 0.0 110.631 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.509 ' O ' ' O ' ' A' ' 32' ' ' LEU . 12.9 mttp -84.74 44.09 1.03 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.77 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.509 ' O ' ' O ' ' A' ' 31' ' ' LYS . 25.1 mt 42.42 -171.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.683 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 33' ' ' ILE . 3.0 tp -72.51 128.78 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.373 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.44 52.43 1.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.675 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.424 ' NE2' HG12 ' A' ' 33' ' ' ILE . 18.2 pt20 -100.58 135.2 42.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.493 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.667 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . -168.87 -171.64 34.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.08 159.82 15.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.877 0.37 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 t -170.83 127.42 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -73.5 160.44 31.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.33 179.624 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' SER . 43.9 t 37.98 47.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.185 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.6 t -66.83 142.99 57.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.782 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.644 ' O ' HG23 ' A' ' 44' ' ' THR . 0.6 OUTLIER -106.39 87.25 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.553 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -41.5 121.63 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.625 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 42' ' ' SER . 16.6 p -132.74 179.92 5.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.353 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.64 -36.6 65.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.527 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.564 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 19.2 t-20 -88.79 -37.34 15.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.296 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.411 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.1 OUTLIER -122.35 109.05 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.153 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -99.72 156.56 17.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 m -123.17 135.05 54.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.036 0.446 . . . . 0.0 111.138 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.11 172.06 7.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.392 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.9 p -138.0 22.52 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.67 156.8 42.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.331 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.549 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -73.84 142.05 46.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.399 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.55 40.13 29.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 t -84.45 -26.27 28.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.899 ' H ' HD22 ' A' ' 56' ' ' ASN . 0.0 OUTLIER -94.79 86.03 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.756 -179.75 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.606 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.528 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -169.7 159.02 7.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.363 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -165.65 -162.24 0.56 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.402 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.474 ' HB2' ' NE2' ' A' ' 35' ' ' GLN . 46.2 m-85 -92.96 94.76 9.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.142 0.496 . . . . 0.0 110.472 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.425 HE21 ' HA ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -105.77 -24.37 12.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.761 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.406 ' NE2' ' OE1' ' A' ' 5' ' ' GLN . 15.7 m-70 -134.0 35.65 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.462 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.28 -13.66 32.24 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -129.09 143.52 50.89 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 179.71 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.486 ' H ' HG23 ' A' ' 9' ' ' VAL . 2.2 t -56.09 101.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.512 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 8' ' ' LYS . 35.6 m -131.32 157.78 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.37 106.23 10.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.371 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' HE21 ' A' ' 5' ' ' GLN . 0.0 OUTLIER -59.57 -159.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.846 -179.742 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -43.05 154.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.699 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.2 mtt85 -82.66 41.83 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.439 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -158.47 -3.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.073 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.618 ' C ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -74.36 138.02 43.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.606 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.652 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 4.0 mtpm? -125.33 6.62 7.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.652 ' CD1' ' C ' ' A' ' 17' ' ' LYS . 71.7 m-85 -156.83 138.6 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.788 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.461 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 56.9 m -103.21 140.77 36.93 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.609 ' CD1' ' OD1' ' A' ' 47' ' ' ASN . 10.8 p90 -136.13 148.54 48.27 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.574 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.673 ' CG ' ' ND2' ' A' ' 56' ' ' ASN . 3.3 t-160 -111.37 99.22 8.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.16 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.754 ' ND2' ' H ' ' A' ' 24' ' ' GLY . 1.7 t-20 -80.06 135.64 36.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.786 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.554 ' N ' ' ND2' ' A' ' 22' ' ' ASN . 23.2 p -109.32 -22.11 12.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.299 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.754 ' H ' ' ND2' ' A' ' 22' ' ' ASN . . . 63.36 110.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.571 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -95.66 -46.24 0.26 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.832 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 25' ' ' MET . 52.9 Cg_exo -49.21 118.28 3.47 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.674 2.249 . . . . 0.0 112.242 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 67.87 179.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.67 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 30' ' ' LEU . 1.4 mpt_? -104.09 -63.98 1.15 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 30' ' ' LEU . 5.6 m-80 38.98 30.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.643 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 28' ' ' ARG . 2.4 tp 76.12 -162.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.497 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -109.04 57.56 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.511 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mp -58.11 124.93 21.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.728 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.526 HD11 ' NE2' ' A' ' 21' ' ' HIS . 1.7 tp -78.24 130.95 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt -131.41 45.34 2.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.663 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.58 HE21 ' ND2' ' A' ' 56' ' ' ASN . 1.3 pt20 -73.41 126.08 29.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.524 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.482 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . -157.36 167.08 33.91 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -111.25 170.97 7.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.975 0.416 . . . . 0.0 110.769 -179.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.95 171.33 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.753 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 t -84.07 -42.57 15.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.547 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.0 t -120.82 85.31 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.4 t -86.0 136.74 33.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.39 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.79 94.09 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 6.2 mp0 -43.81 138.26 2.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.533 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.629 ' N ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -168.11 145.56 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.915 0.388 . . . . 0.0 110.655 179.777 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -44.14 -20.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.585 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 32.2 t-20 -95.81 -35.98 11.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.198 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.629 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -133.37 120.64 21.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.078 179.717 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -111.23 134.94 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.636 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.459 ' SG ' ' HG3' ' A' ' 43' ' ' GLU . 1.8 m -103.42 140.91 36.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.969 0.414 . . . . 0.0 111.042 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 p -141.13 130.66 23.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.512 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.18 40.5 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.661 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.482 ' O ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.63 22.55 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.524 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.693 ' O ' ' N ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER 56.2 152.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.651 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' A' ' 53' ' ' ASP . 7.1 ptp180 30.48 29.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.818 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.693 ' N ' ' O ' ' A' ' 53' ' ' ASP . 29.9 p -70.56 -40.92 73.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.014 0.435 . . . . 0.0 110.418 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.673 ' ND2' ' CG ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -69.34 53.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.793 -179.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' CYS . 16.1 ptpt . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.526 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.3 tp . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.669 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -158.02 152.99 25.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.237 179.647 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.669 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 36.2 m -158.2 -161.8 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.057 0.455 . . . . 0.0 111.166 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -88.4 91.0 8.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.517 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.443 ' HG3' ' SG ' ' A' ' 37' ' ' CYS . 3.3 tt0 -91.74 -38.06 12.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.69 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -130.63 46.02 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.484 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.1 0.81 61.73 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' O ' HG22 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -136.18 143.77 44.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.31 . . . . 0.0 110.508 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.406 HG21 ' NE ' ' A' ' 54' ' ' ARG . 51.9 t -63.54 100.16 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.649 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 8' ' ' LYS . 21.5 m -137.87 158.07 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.2 m -73.42 126.62 30.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.553 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.7 m -73.54 -174.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.506 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.444 ' CB ' ' SD ' ' A' ' 16' ' ' MET . 0.7 OUTLIER -67.07 163.77 19.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.576 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -65.13 -31.56 72.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.01 -36.99 80.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.444 ' SD ' ' CB ' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -72.14 130.88 41.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.823 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -126.76 -8.25 6.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.649 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -129.39 137.86 51.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.7 m -98.03 148.83 23.11 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.621 ' CE2' ' C ' ' A' ' 36' ' ' GLY . 27.7 p90 -138.1 148.93 45.48 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.479 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.769 ' ND1' ' ND2' ' A' ' 56' ' ' ASN . 3.5 t-160 -126.03 120.1 29.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.463 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -108.17 128.72 54.95 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.282 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -110.12 -13.65 14.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.344 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -86.5 -145.91 9.34 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 24' ' ' GLY . 23.6 mtp 35.64 65.06 1.99 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.665 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -66.84 61.65 0.58 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.773 2.315 . . . . 0.0 112.138 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -79.28 -13.01 59.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.554 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 mtp85 -102.01 -177.39 3.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -123.59 -14.79 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.623 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 31' ' ' LYS . 27.1 tp -149.33 154.3 38.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.646 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.644 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER 35.82 51.76 0.74 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.463 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.631 ' H ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -40.92 84.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.724 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.725 HG23 ' O ' ' A' ' 33' ' ' ILE . 2.6 tp -96.75 99.31 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.344 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.577 ' N ' ' OE1' ' A' ' 35' ' ' GLN . 4.5 mp -125.0 21.53 8.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.534 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.577 ' OE1' ' N ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -85.14 138.07 32.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.84 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.621 ' C ' ' CE2' ' A' ' 20' ' ' TYR . . . -159.74 -161.09 10.98 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.443 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -120.53 164.62 16.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.499 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.6 t -166.18 150.66 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -34.06 43.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.399 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.483 ' O ' ' OG ' ' A' ' 40' ' ' SER . 10.0 p -128.53 62.89 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 20' ' ' TYR . 48.6 t -62.09 151.46 35.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.685 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.03 89.68 3.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.579 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -51.88 108.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.51 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 p -134.16 -171.35 2.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.507 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -80.57 -34.48 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.34 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 5.3 t30 -85.05 -41.25 15.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.133 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.542 ' C ' ' OD1' ' A' ' 47' ' ' ASN . 2.4 t30 -121.02 114.85 22.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.484 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.65 163.75 13.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.746 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 m -139.35 124.27 18.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.41 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 p -122.61 -170.37 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.501 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.23 27.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.965 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.541 HG22 ' N ' ' A' ' 53' ' ' ASP . 99.3 m -128.39 161.36 29.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 110.684 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.541 ' N ' HG22 ' A' ' 52' ' ' THR . 3.8 t70 -60.09 136.7 58.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.641 -179.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' NE ' HG21 ' A' ' 9' ' ' VAL . 13.2 ttm180 43.81 44.51 5.72 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.343 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' A' ' 57' ' ' LYS . 27.1 p -89.78 -24.62 21.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.697 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.769 ' ND2' ' ND1' ' A' ' 21' ' ' HIS . 2.2 p-10 -29.63 -37.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.64 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.556 179.867 . . . . . . . . 2 2 . 1 stop_ save_