data_2kaw_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 2kaw _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.953 0.406 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.4 mt -85.31 125.92 40.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.45 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.0 mt -128.55 133.78 65.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.647 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.93 120.87 42.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.024 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 85' ' ' SER . 19.6 m -113.84 139.46 39.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.771 0.319 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 m -106.58 107.64 18.75 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 mt -86.28 137.52 32.54 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.546 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -86.56 114.32 23.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.692 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mmm -97.4 13.81 28.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.488 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -85.76 -48.42 8.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.408 0.623 . . . . 0.0 109.39 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -91.68 -24.82 19.38 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.48 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -101.34 141.1 34.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.216 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -103.04 -28.73 11.81 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -132.94 156.12 47.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.201 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.3 mt -80.91 -36.93 30.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . 75.82 49.19 9.08 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.651 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pt -148.46 104.0 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 116.955 0.378 . . . . 0.0 110.82 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.0 p -73.23 118.62 16.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.401 0.619 . . . . 0.0 110.713 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.5 mm -76.89 128.32 37.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.28 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.05 117.31 54.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.31 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.6 129.92 9.69 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.865 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -88.4 115.66 26.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.843 0.354 . . . . 0.0 110.581 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.96 140.7 37.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.92 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -150.27 -166.05 2.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.781 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.51 -44.36 97.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.559 0.218 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -75.49 -67.72 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.91 -22.49 4.04 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.168 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -83.25 55.84 3.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.412 0.625 . . . . 0.0 110.829 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.62 -25.22 54.31 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.156 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.06 165.93 39.8 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.959 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.8 pt -103.85 132.46 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.035 0.445 . . . . 0.0 110.522 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.479 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 56.1 m-85 -121.11 161.69 21.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.111 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.1 mm -81.99 117.71 28.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.984 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.92 -75.28 0.96 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.612 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.8 m -135.5 149.95 49.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.823 0.344 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 71.8 mt -100.14 128.95 51.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.046 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.7 mmt -94.55 123.21 37.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.259 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.27 125.62 24.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.79 -6.28 24.09 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.569 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.33 169.08 34.19 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.465 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.96 -34.63 77.92 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.77 -37.37 73.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.834 0.349 . . . . 0.0 111.0 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.81 -15.76 63.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.266 0.555 . . . . 0.0 110.56 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.99 -12.73 43.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.619 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -95.18 -74.14 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.962 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.82 -23.49 17.01 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.932 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -68.01 -33.28 74.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.404 0.602 . . . . 0.0 111.179 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.405 HG22 HD12 ' A' ' 48' ' ' ILE . 48.8 mt -85.36 135.91 23.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -141.06 161.16 55.04 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.089 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.79 120.3 6.88 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.459 2.106 . . . . 0.0 112.055 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.47 -7.95 22.49 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.611 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.492 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 85.3 m-20 -72.95 141.77 47.8 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.479 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.6 ttt -98.77 134.53 41.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.907 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.4 mt -89.29 120.6 30.79 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.6 mt -103.92 -64.77 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.167 0.508 . . . . 0.0 111.111 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 8.2 tt0 -120.9 134.89 55.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.462 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.678 ' O ' HG23 ' A' ' 60' ' ' VAL . 65.7 t -128.8 100.13 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 8.3 m120 58.86 60.44 2.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.383 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 14.3 m-20 77.39 -38.3 0.28 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.306 -0.861 . . . . 0.0 113.226 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 57' ' ' VAL . 2.3 m -66.58 142.12 17.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.143 0.497 . . . . 0.0 110.812 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -109.86 131.96 54.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -110.84 0.48 17.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.649 0.261 . . . . 0.0 111.282 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -61.9 -32.16 72.51 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -117.16 33.12 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.347 0.594 . . . . 0.0 110.606 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.2 mtp -121.64 160.68 23.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.55 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.05 149.94 47.14 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -53.08 -51.28 62.36 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.126 0.489 . . . . 0.0 110.802 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.449 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 1.3 m-20 -63.69 -42.53 97.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.913 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -63.99 -35.49 80.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.091 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.29 97.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.78 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.7 t -67.64 -34.99 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.213 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 78.2 mtt180 -58.71 -54.59 45.31 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.123 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.47 -38.32 81.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.513 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.5 tp -59.3 -42.9 92.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.433 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -60.48 -35.17 75.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.212 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.31 -34.28 77.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.927 0.394 . . . . 0.0 110.629 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.5 mt -79.65 -43.25 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.194 0.521 . . . . 0.0 110.18 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.42 -28.97 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.389 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 m -99.04 28.46 4.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.979 0.419 . . . . 0.0 110.581 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -124.27 -179.1 4.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.171 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.93 140.49 39.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.788 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.12 169.2 12.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.665 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.56 131.07 19.39 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.004 2.469 . . . . 0.0 111.951 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.6 mt -102.16 116.63 46.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.195 0.521 . . . . 0.0 110.614 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 67.6 m -103.71 116.28 32.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.435 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.4 mt -105.19 124.06 48.9 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.939 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -101.75 104.48 15.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.7 m -102.77 151.05 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.32 107.46 18.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.474 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.492 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 25.4 mtpp . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.541 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 40.8 t30 . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.81 0.338 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.5 mt -88.74 122.9 40.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.568 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 mt -119.48 131.56 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.973 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 m -108.17 110.87 22.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.752 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 m -106.82 142.18 20.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.177 0.513 . . . . 0.0 111.883 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 t -109.64 113.19 25.76 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.6 mt -98.34 142.64 29.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.415 0.626 . . . . 0.0 112.233 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -90.65 112.89 24.81 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.472 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.5 mmm -99.35 25.04 7.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -92.13 -55.1 3.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -87.59 -0.56 57.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.318 0.58 . . . . 0.0 109.867 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -119.56 158.44 26.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.681 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -121.63 -15.32 8.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.679 0.276 . . . . 0.0 110.986 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -145.73 159.19 43.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.16 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.2 mt -83.24 -37.51 23.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.765 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.04 48.62 7.53 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.384 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 pt -144.18 101.61 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 116.636 0.218 . . . . 0.0 111.028 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -71.08 116.4 11.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.372 0.606 . . . . 0.0 110.23 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.7 mm -73.76 137.88 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.007 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.69 117.26 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.968 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.98 120.05 5.38 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.746 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -87.33 112.91 22.57 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m -113.18 147.74 36.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.586 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -151.4 -171.12 3.85 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.53 -29.88 64.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.98 0.419 . . . . 0.0 110.586 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -83.58 -57.76 3.1 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.86 -34.19 4.59 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.438 -0.887 . . . . 0.0 113.246 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.35 58.61 2.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.13 0.49 . . . . 0.0 111.676 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.54 -39.02 11.23 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.197 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.22 165.87 26.69 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.403 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 pt -101.14 128.6 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.967 0.413 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 58.1 m-85 -118.32 160.01 22.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.176 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.4 mm -81.52 116.78 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.691 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.47 -74.94 1.17 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.097 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.02 146.95 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.008 0.432 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 mt -107.77 135.56 46.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.381 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.3 mmt -101.49 128.98 47.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.755 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -64.58 133.78 53.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.549 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.07 -12.02 57.35 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.457 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.07 165.89 51.2 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.681 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.04 -34.98 74.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.578 0.227 . . . . 0.0 111.414 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.7 t -71.26 -40.74 74.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.11 0.481 . . . . 0.0 110.773 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.0 -10.78 53.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.977 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.21 -12.68 43.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.603 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -93.71 -69.03 0.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 110.18 -25.7 15.43 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.329 -0.938 . . . . 0.0 113.706 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -70.08 -31.21 68.68 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 117.238 0.519 . . . . 0.0 111.529 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.8 mt -83.19 135.08 25.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -144.7 160.07 48.69 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -49.85 126.77 17.42 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.615 2.21 . . . . 0.0 111.948 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.66 -16.72 26.06 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.055 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -68.17 139.53 56.11 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.491 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 28.2 ttt -100.25 128.9 46.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.671 0.272 . . . . 0.0 110.972 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.5 mt -85.52 110.51 19.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.105 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.0 mt -90.62 -65.23 1.03 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.289 0.566 . . . . 0.0 110.573 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -119.76 134.07 55.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.791 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.2 t -128.11 102.15 8.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.92 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 63.32 64.62 0.82 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.757 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 76.46 -48.04 0.55 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.992 0.917 . . . . 0.0 113.25 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 m -70.64 123.65 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.386 0.612 . . . . 0.0 111.415 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -95.58 126.47 40.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.239 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -99.11 11.46 38.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.75 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.82 -28.48 69.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.704 0.287 . . . . 0.0 111.269 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -110.93 19.28 18.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.067 0.461 . . . . 0.0 111.204 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 97.8 mtp -120.46 159.14 25.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.623 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.3 m -72.79 160.62 31.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -56.37 -48.11 77.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.719 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 1.1 m-20 -60.83 -47.27 87.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.493 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.91 -38.62 82.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.058 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.8 79.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.428 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.444 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 92.5 t -63.81 -35.34 72.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 65.5 mtt85 -58.16 -58.23 9.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.29 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.3 t -65.26 -33.44 63.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.043 0.449 . . . . 0.0 110.185 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.77 -41.28 90.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.013 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 1.1 mtt85 -62.95 -36.77 84.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 30.8 mm-40 -64.38 -35.38 80.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.038 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.6 mt -81.05 -44.0 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.357 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.1 t -63.18 -33.22 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.606 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -95.08 17.98 13.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.82 0.343 . . . . 0.0 110.755 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.509 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 4.8 tp-100 -114.79 164.08 14.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.739 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.08 132.77 41.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 139.06 -174.16 22.28 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.696 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -83.65 141.9 10.04 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.701 2.268 . . . . 0.0 112.176 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.5 mt -120.45 121.43 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.066 0.46 . . . . 0.0 111.092 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.7 m -104.13 126.56 51.34 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.115 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.9 mt -111.93 119.59 39.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.706 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.1 m -99.5 99.6 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.8 m -99.44 145.51 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.406 0.622 . . . . 0.0 112.481 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.17 107.09 17.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.813 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.295 -179.508 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 50.7 t30 . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.905 0.383 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 54.7 mt -90.89 123.27 42.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.877 0.37 . . . . 0.0 111.184 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.3 mt -126.01 129.58 72.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.939 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.7 m -100.98 119.24 38.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.5 m -107.47 137.44 38.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.637 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.4 t -107.91 118.58 37.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.4 mt -108.43 150.98 26.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.43 0.529 . . . . 0.0 112.43 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -92.88 126.46 37.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.758 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.3 mmm -109.22 21.14 17.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.991 0.424 . . . . 0.0 111.028 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -84.91 -54.81 4.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.103 0.477 . . . . 0.0 109.851 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -89.96 -16.85 29.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.23 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -100.18 135.13 42.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.3 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -101.22 -20.13 15.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.711 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -142.08 156.88 45.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.887 0.375 . . . . 0.0 110.766 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.1 mt -82.67 -34.81 27.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.42 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . 74.09 54.86 6.07 Favored Glycine 0 C--O 1.223 -0.586 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.398 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -151.31 103.09 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 116.892 0.346 . . . . 0.0 110.857 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.7 p -73.64 120.14 18.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.569 0.7 . . . . 0.0 110.658 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 mm -77.81 125.72 37.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.528 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.2 t -116.49 117.5 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.981 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.72 129.18 9.64 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.991 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.499 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 6.7 tt0 -97.0 121.74 39.22 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -129.57 150.34 50.94 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.102 0.477 . . . . 0.0 110.623 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -142.05 -147.1 0.2 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -60.41 -46.11 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.961 0.41 . . . . 0.0 110.028 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -74.47 -77.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.243 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.51 -22.09 2.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.827 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -79.34 50.06 1.05 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.095 0.474 . . . . 0.0 111.729 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.499 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -75.98 -37.13 39.19 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.676 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.48 159.18 27.95 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.513 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.5 pt -99.4 127.2 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.082 0.468 . . . . 0.0 110.372 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.459 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 86.0 m-85 -114.27 160.78 18.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.052 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.409 HG23 HD13 ' A' ' 33' ' ' ILE . 33.4 mm -81.78 117.15 27.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.569 178.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.57 -95.73 0.22 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.309 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.7 m -117.03 144.3 44.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.801 0.334 . . . . 0.0 110.759 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 74.7 mt -97.82 129.1 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.455 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 36.9 mmt -91.69 133.48 35.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.27 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -63.3 131.16 47.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.79 -9.99 57.13 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.692 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.79 161.87 42.53 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.226 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.39 -32.49 70.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.64 0.257 . . . . 0.0 111.661 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.2 t -74.55 -36.38 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.559 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.92 -21.82 65.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.286 0.565 . . . . 0.0 110.5 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.11 -10.06 53.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.775 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -93.06 -71.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.61 -20.44 32.04 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.542 -0.837 . . . . 0.0 114.243 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -71.12 -32.53 69.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 117.621 0.711 . . . . 0.0 111.323 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.7 mt -85.8 138.05 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -138.88 162.26 53.62 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.586 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.73 114.66 2.05 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.384 2.056 . . . . 0.0 111.588 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.46 -14.83 8.68 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.382 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -69.49 143.31 53.53 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.459 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.1 ttt -99.85 136.38 39.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.55 0.214 . . . . 0.0 111.282 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.4 mt -87.25 120.78 28.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.2 mt -102.25 -52.26 3.18 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.227 0.537 . . . . 0.0 111.001 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.8 139.35 45.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.555 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.5 t -133.62 101.2 3.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 61.64 67.83 0.74 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.934 0.397 . . . . 0.0 111.613 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 72.57 -46.01 0.64 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.2 m -68.79 135.71 27.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.346 0.594 . . . . 0.0 111.628 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -96.78 129.12 44.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.462 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -100.42 -5.68 26.78 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -59.79 -37.74 79.94 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.842 0.354 . . . . 0.0 110.95 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -102.57 37.62 1.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 76.6 mtp -139.8 149.7 43.83 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.97 154.27 31.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.403 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -55.56 -46.27 77.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.668 0.27 . . . . 0.0 111.162 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -64.54 -45.33 87.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.242 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.406 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 22.4 m-20 -62.43 -40.14 95.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.78 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.43 90.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.076 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.598 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 77.9 t -66.23 -43.58 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.801 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.406 ' HD2' ' HA ' ' A' ' 69' ' ' ASP . 91.1 mtt180 -51.4 -54.62 24.8 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.224 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.56 -37.21 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.04 -44.62 94.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.806 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 13.0 mtp180 -58.0 -39.88 79.37 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.666 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -63.45 -40.34 96.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.994 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.1 mt -73.23 -45.9 51.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.134 0.493 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.0 t -61.37 -28.98 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.531 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.3 m -91.82 -0.73 57.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.327 . . . . 0.0 111.286 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.75 156.27 17.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.429 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.3 m -84.78 136.98 33.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.991 0.424 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.26 158.86 8.24 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.451 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.74 138.91 72.01 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.77 2.313 . . . . 0.0 111.443 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.4 mt -117.03 126.01 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.962 0.411 . . . . 0.0 111.22 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.0 m -108.61 127.02 53.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.76 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.8 mt -111.59 121.37 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.946 0.403 . . . . 0.0 111.459 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.8 m -96.06 100.43 12.09 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 26.0 m -102.84 145.85 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.423 0.63 . . . . 0.0 112.157 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.95 105.97 16.26 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.729 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.522 -0.751 . . . . 0.0 110.365 -179.594 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 mt -94.2 133.45 35.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.7 mt -127.32 128.38 70.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.72 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.7 m -107.0 115.61 30.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.2 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.7 m -112.58 153.48 14.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.973 0.416 . . . . 0.0 110.998 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -112.88 136.51 52.45 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.7 mt -113.53 141.12 47.53 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.03 0.443 . . . . 0.0 110.876 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -91.9 113.04 25.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.292 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.3 mmm -92.36 9.67 33.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.203 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -86.48 -51.62 6.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.371 0.605 . . . . 0.0 109.684 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -86.28 -21.98 27.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.691 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -110.88 155.45 22.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.734 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -116.36 -28.52 6.48 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.038 0.447 . . . . 0.0 110.495 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -130.71 153.06 49.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.57 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.7 mt -78.07 -36.68 47.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.379 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.87 49.87 7.4 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.52 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -149.24 104.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.6 p -76.7 114.11 15.09 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.527 0.679 . . . . 0.0 111.001 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mm -73.25 133.41 31.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.402 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.2 t -125.74 110.14 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.92 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.99 125.78 7.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.279 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.501 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.1 tt0 -81.16 113.77 19.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.746 0.308 . . . . 0.0 110.226 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -97.61 151.45 20.07 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -152.04 -175.63 5.32 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.56 -32.54 67.22 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.099 0.475 . . . . 0.0 110.27 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -88.1 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.33 -21.41 4.08 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.043 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -82.81 54.23 2.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.421 0.629 . . . . 0.0 111.547 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.501 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -78.45 -37.72 26.79 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.59 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.73 156.26 28.39 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.326 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.5 pt -92.02 129.57 42.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.241 0.543 . . . . 0.0 111.16 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -116.85 166.01 12.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.086 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.7 mm -87.4 117.18 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.484 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.31 -77.62 1.1 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.902 -0.665 . . . . 0.0 113.08 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m -126.05 149.91 48.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.705 0.288 . . . . 0.0 111.454 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.0 mt -105.12 130.78 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.943 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.2 mmt -96.24 130.4 43.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.604 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -69.31 125.41 26.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.923 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.52 -5.85 31.48 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.44 167.78 39.48 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.904 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.19 86.98 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.8 t -69.74 -35.02 63.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.014 0.435 . . . . 0.0 111.004 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.69 -15.29 61.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.452 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.22 -0.23 55.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.794 0.331 . . . . 0.0 111.403 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -102.15 -70.6 0.75 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.146 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.4 -26.05 15.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.844 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -65.23 -38.4 90.26 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 117.157 0.478 . . . . 0.0 111.754 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.4 mt -85.69 139.5 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.603 0.239 . . . . 0.0 110.373 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -147.02 162.25 33.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.138 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.31 116.49 3.1 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.5 2.133 . . . . 0.0 111.929 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 126.46 -18.31 6.44 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.263 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.465 ' CG ' ' HZ2' ' A' ' 90' ' ' LYS . 85.3 m-20 -71.69 146.54 48.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.7 ttt -104.83 136.26 44.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.426 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 mt -87.52 126.04 34.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.706 0.289 . . . . 0.0 110.482 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.6 mt -107.74 -54.63 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -128.72 139.94 51.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.05 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.2 t -133.87 109.29 12.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.816 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.486 ' OD1' ' HA ' ' A' ' 84' ' ' ILE . 3.2 m120 50.82 60.83 3.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.08 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 74.36 -18.68 0.4 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.914 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.7 t -84.69 123.49 39.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.904 0.383 . . . . 0.0 111.233 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -91.77 122.57 34.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.396 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -101.77 -1.96 31.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.789 0.328 . . . . 0.0 111.403 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -62.66 -22.59 66.57 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -119.04 28.06 8.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.93 0.395 . . . . 0.0 110.922 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.3 mtp -124.07 160.24 28.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.434 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.27 153.62 42.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.504 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -54.59 -48.33 72.27 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.02 -49.81 75.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.832 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -60.16 -39.43 86.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.387 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.32 -49.73 75.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.531 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.17 -35.35 73.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.69 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -60.06 -52.41 65.47 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.841 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.74 -38.05 81.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.14 0.495 . . . . 0.0 110.082 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.4 -40.33 86.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.255 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -57.0 -42.06 79.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.037 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 29.9 mm-40 -64.71 -37.08 86.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.352 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -76.11 -43.03 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.14 0.495 . . . . 0.0 110.536 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.39 -34.5 64.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.442 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 m -96.65 21.51 9.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.917 0.389 . . . . 0.0 110.765 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 2.8 tp-100 -115.69 168.91 9.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.309 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.59 151.36 20.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.298 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.55 159.51 12.14 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.826 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.58 125.7 13.7 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.822 2.348 . . . . 0.0 112.144 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.486 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 78.8 mt -92.92 131.26 40.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.138 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.7 m -114.03 124.36 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.97 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.5 mt -114.66 126.33 54.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.127 0.489 . . . . 0.0 111.766 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -105.31 102.5 11.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.33 154.22 7.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.263 0.554 . . . . 0.0 112.341 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.76 121.4 45.14 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.34 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.465 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 26.7 mtpp . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.357 -0.83 . . . . 0.0 109.826 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.7 t30 . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.811 0.338 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.4 mt -90.44 126.23 43.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.365 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.3 mt -125.53 130.02 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.02 0.438 . . . . 0.0 110.78 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.25 116.67 33.13 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.904 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 m -116.02 150.84 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.918 0.389 . . . . 0.0 111.033 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -114.09 131.06 56.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.6 mt -112.27 133.74 54.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.984 0.421 . . . . 0.0 111.516 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -88.03 109.42 19.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.361 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.0 mmm -93.32 18.62 9.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.508 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -91.19 -43.4 9.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -94.08 -17.32 22.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.328 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -115.12 141.42 48.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.008 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -108.04 -15.5 14.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.865 0.364 . . . . 0.0 111.374 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -138.93 157.5 45.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.999 0.428 . . . . 0.0 110.211 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -87.42 -32.26 19.62 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.242 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.97 54.34 14.68 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.309 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -153.65 102.68 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.684 0.242 . . . . 0.0 110.795 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.5 p -74.53 127.97 34.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.42 0.628 . . . . 0.0 110.36 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.7 mm -81.67 128.58 38.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.996 -178.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -116.7 116.03 50.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.329 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.36 132.51 11.31 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.789 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -89.95 99.1 12.18 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.6 m -108.95 103.72 12.81 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.563 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -100.45 -139.57 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.518 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -76.24 -44.44 37.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.0 0.429 . . . . 0.0 110.752 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -73.2 -57.05 4.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.89 -25.27 7.61 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.729 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.63 54.87 3.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.218 0.532 . . . . 0.0 110.784 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.74 -43.48 6.81 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.158 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.52 167.21 21.86 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.085 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.9 pt -107.31 138.78 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.003 0.43 . . . . 0.0 111.038 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -123.09 158.01 31.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.352 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.6 mm -72.55 115.73 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' O ' ' HB3' ' A' ' 50' ' ' PRO . . . -79.46 -85.04 0.59 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.959 -0.638 . . . . 0.0 113.08 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -120.39 137.3 54.38 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 122.604 -0.351 . . . . 0.0 111.126 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.1 mt -95.87 134.24 34.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.562 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.8 mmt -102.54 127.03 49.78 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -62.25 117.82 6.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.19 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.62 -16.03 8.47 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.453 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.19 163.45 50.57 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.9 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.93 -34.65 73.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.748 0.308 . . . . 0.0 111.479 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.19 -34.75 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.949 0.404 . . . . 0.0 110.531 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.26 -6.74 47.93 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.63 -25.21 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -77.76 -73.07 0.33 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.977 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.07 -3.96 27.06 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.506 -0.854 . . . . 0.0 114.108 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -93.36 -28.8 15.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 117.626 0.713 . . . . 0.0 111.906 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.4 mt -88.18 137.38 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -140.64 161.98 51.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.309 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.459 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 40.4 Cg_exo -57.46 106.91 0.26 Allowed 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.467 2.111 . . . . 0.0 112.062 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.02 -19.87 3.65 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.592 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -67.39 138.06 56.42 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.3 ttt -91.08 137.23 32.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.643 0.259 . . . . 0.0 111.237 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.5 mt -90.06 115.15 27.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.929 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.5 mt -97.52 -78.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.169 0.509 . . . . 0.0 110.628 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -110.19 134.49 52.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.809 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.2 t -129.01 98.69 4.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.843 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 6.9 m120 62.6 71.13 0.53 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.48 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 58.3 m-20 74.12 -52.35 0.69 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.221 -0.9 . . . . 0.0 113.14 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.1 m -68.61 130.29 33.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.31 0.576 . . . . 0.0 111.327 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -105.75 132.02 52.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.441 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -99.87 6.31 45.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.762 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -54.86 -35.76 64.36 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 111.609 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -119.2 56.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.3 0.572 . . . . 0.0 110.483 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 39.2 mtp -146.58 166.06 27.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.958 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 77.6 p -73.83 156.85 37.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.692 0.282 . . . . 0.0 110.332 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -62.16 -30.58 71.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.195 0.521 . . . . 0.0 110.09 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -50.3 17.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.846 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -61.43 -34.57 75.62 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.488 0.185 . . . . 0.0 111.076 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.26 -46.74 82.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.195 0.521 . . . . 0.0 110.41 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.6 t -70.94 -36.27 63.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.272 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -57.23 -49.75 75.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.547 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.39 -38.49 81.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.866 0.365 . . . . 0.0 110.111 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.56 -41.8 95.31 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.326 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -57.72 -40.47 79.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.064 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -65.34 -45.85 82.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.5 mt -67.26 -40.72 85.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.18 -32.05 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.289 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 m -86.24 0.67 53.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.501 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.68 178.08 4.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.917 0.389 . . . . 0.0 110.979 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.4 p -108.02 135.58 49.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.5 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.86 -178.88 27.06 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.754 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -81.48 128.03 6.0 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.806 2.337 . . . . 0.0 111.568 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.0 mt -99.29 120.49 48.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.018 0.437 . . . . 0.0 110.683 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -111.73 117.21 32.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.757 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.9 mt -108.01 129.02 55.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.964 0.412 . . . . 0.0 111.963 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.7 95.33 5.58 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.5 m -99.34 148.47 6.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.512 0.672 . . . . 0.0 112.278 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.86 112.46 24.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.004 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.823 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 . . . . . 0 N--CA 1.483 1.218 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.0 mt -100.03 118.97 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.584 0.231 . . . . 0.0 110.707 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.8 mt -111.51 132.76 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.009 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m -100.68 111.85 24.16 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 m -115.73 146.78 19.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.062 0.458 . . . . 0.0 111.683 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.1 t -119.65 134.9 55.04 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.0 mt -118.31 156.74 28.35 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.053 0.454 . . . . 0.0 111.797 -178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 27.4 t-20 -93.14 120.12 33.1 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.474 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mmm -101.01 10.53 40.98 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.304 0.378 . . . . 0.0 111.56 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -83.04 -57.75 3.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -80.04 -32.4 39.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.18 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 32.2 m80 -92.95 142.06 27.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.216 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -106.92 -12.4 15.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.599 0.238 . . . . 0.0 111.196 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -149.09 159.61 44.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.385 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.0 mt -80.56 -39.23 28.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.026 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.93 48.14 7.98 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.84 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pt -150.57 103.05 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.681 0.24 . . . . 0.0 110.355 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.6 p -71.11 123.38 22.0 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.42 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.1 mm -82.34 127.68 39.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.435 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.8 t -116.85 118.61 59.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.732 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.22 121.33 5.59 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.213 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.414 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 6.6 tt0 -83.19 127.13 33.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.849 0.356 . . . . 0.0 110.586 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.8 m -138.4 163.14 32.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -156.22 -92.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.454 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -122.47 -36.53 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.042 0.448 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 -78.97 -56.57 4.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.71 -37.72 2.35 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.282 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -79.34 75.85 5.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.636 0.731 . . . . 0.0 111.395 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -98.29 -42.12 3.06 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.201 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.63 163.16 23.36 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.045 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.6 pt -99.76 127.93 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.946 0.403 . . . . 0.0 110.7 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 59.3 m-85 -117.24 160.23 21.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.99 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.9 mm -80.08 120.79 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.142 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.77 -81.14 0.89 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.54 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.2 m -130.18 142.99 50.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.784 0.326 . . . . 0.0 111.013 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.1 mt -94.38 131.02 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.893 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.5 mmt -97.6 125.19 42.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.427 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -64.86 120.84 13.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.112 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.96 -11.02 13.5 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.35 168.69 46.65 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.27 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.17 -34.92 77.33 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.68 -31.96 39.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.055 0.455 . . . . 0.0 110.796 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.94 -8.82 40.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.2 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.88 -3.71 29.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.833 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -95.85 -70.29 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.862 0.363 . . . . 0.0 110.121 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.26 -23.76 27.92 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.251 -0.976 . . . . 0.0 113.987 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -74.03 -32.56 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.707 0.754 . . . . 0.0 111.315 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.42 HD11 HG22 ' A' ' 48' ' ' ILE . 54.4 mt -82.31 131.16 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -133.27 161.01 66.36 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.347 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.35 126.33 20.49 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.06 1.84 . . . . 0.0 110.788 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.23 -16.57 22.31 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.956 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -66.83 144.08 56.5 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.466 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.3 ttt -99.6 133.4 43.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.635 0.255 . . . . 0.0 111.046 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.0 mt -89.74 124.7 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.9 mt -102.81 -67.75 0.86 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.005 0.431 . . . . 0.0 111.063 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -123.55 138.3 54.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.87 102.67 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.204 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 8.6 m120 63.42 66.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.74 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 39.9 m-20 74.91 -44.36 0.54 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.07 125.99 32.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.475 0.655 . . . . 0.0 111.342 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -96.34 136.51 36.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.449 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -111.38 3.52 18.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -58.57 -33.21 69.69 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.799 0.333 . . . . 0.0 111.16 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -115.8 43.22 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.033 0.444 . . . . 0.0 110.786 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 61.2 mtp -137.36 162.33 33.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.272 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.35 150.27 47.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.31 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -58.42 -47.07 85.14 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.842 0.353 . . . . 0.0 110.739 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.23 -49.8 74.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.487 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.482 ' O ' HG21 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -59.15 -40.25 84.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.072 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.31 -48.19 81.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.352 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.494 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 79.7 t -64.52 -37.76 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.206 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -59.04 -48.41 81.71 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.017 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.482 HG21 ' O ' ' A' ' 69' ' ' ASP . 39.0 t -64.05 -42.15 94.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.188 0.518 . . . . 0.0 109.872 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.2 tp -58.44 -40.55 82.87 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.301 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 32.7 mtp85 -57.82 -41.79 82.98 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.001 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -65.32 -42.84 92.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.6 mt -69.28 -43.73 81.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.18 -35.02 72.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.54 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.4 m -83.44 3.75 30.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.928 0.394 . . . . 0.0 111.01 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -109.07 156.28 19.97 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.9 m -95.19 123.13 38.52 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.869 0.366 . . . . 0.0 110.68 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.61 178.48 41.35 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -78.01 93.42 1.09 Allowed 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.492 2.128 . . . . 0.0 111.692 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 55.2 mt -71.92 119.96 19.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.565 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -122.36 125.87 46.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.24 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.58 151.66 46.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.91 0.386 . . . . 0.0 111.375 -178.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.7 p -114.56 113.49 24.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.426 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.4 m -101.03 129.59 51.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.166 0.508 . . . . 0.0 111.669 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -96.64 104.86 16.88 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.297 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.16 -0.924 . . . . 0.0 109.6 -179.529 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 42.9 t30 . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.897 0.38 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.8 mt -89.28 121.6 39.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.073 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.9 mt -118.77 132.74 67.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.088 0.47 . . . . 0.0 111.013 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -103.94 111.82 24.53 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 m -107.94 144.64 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.014 0.435 . . . . 0.0 111.471 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -104.35 136.46 43.9 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -121.42 133.78 55.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.954 0.407 . . . . 0.0 111.134 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -91.19 116.31 28.71 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.685 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.9 mmm -96.06 10.03 38.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.173 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -80.95 -37.37 29.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.24 0.543 . . . . 0.0 109.889 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -110.37 14.01 22.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.149 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -138.91 135.06 34.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.434 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -96.52 -28.29 14.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -137.51 164.8 27.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.902 0.382 . . . . 0.0 111.152 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -88.18 -35.63 17.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.8 51.58 7.0 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.784 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -154.38 104.22 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 116.738 0.269 . . . . 0.0 110.351 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.1 p -71.64 132.84 45.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.282 0.563 . . . . 0.0 110.76 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 mm -88.18 122.97 40.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.265 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.6 t -116.67 109.22 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.818 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 31' ' ' ILE . . . -81.93 134.01 12.63 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.364 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -83.52 107.93 16.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.27 0.557 . . . . 0.0 110.255 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.16 137.42 40.46 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.844 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -151.28 -169.76 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -36.26 77.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.966 0.413 . . . . 0.0 110.616 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -76.45 -65.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.327 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.32 -33.31 3.68 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.276 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -82.54 54.05 2.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.295 0.569 . . . . 0.0 111.449 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.39 -39.54 25.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.852 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.31 161.43 29.3 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.053 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.423 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . 9.7 pt -98.24 132.14 43.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.143 0.496 . . . . 0.0 111.326 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -118.83 156.46 29.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.731 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.2 mm -75.61 119.34 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.165 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.71 -86.0 1.01 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.205 -0.521 . . . . 0.0 113.189 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -116.49 136.83 52.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.739 0.304 . . . . 0.0 111.449 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.2 mt -94.68 139.22 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.858 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.5 mmt -113.15 124.97 53.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.674 0.273 . . . . 0.0 110.569 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -60.79 130.68 47.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.022 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.49 -15.55 24.64 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.825 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.03 165.05 43.08 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.655 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.63 76.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.747 0.308 . . . . 0.0 111.657 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.6 t -71.82 -37.25 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 110.546 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.78 -17.1 63.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.26 0.552 . . . . 0.0 110.315 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.45 -2.9 55.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.154 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -100.96 -72.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.856 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.44 -21.36 21.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.478 -0.868 . . . . 0.0 114.715 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -71.02 -25.87 62.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.604 0.702 . . . . 0.0 111.584 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mt -93.95 134.22 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -133.02 162.44 57.64 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.93 102.61 0.21 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.675 2.25 . . . . 0.0 111.75 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.16 -21.13 2.98 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.78 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -62.65 140.32 58.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.828 0.347 . . . . 0.0 110.224 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.3 ttt -98.13 133.34 42.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.668 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.4 mt -86.52 122.54 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.281 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.2 mt -102.35 -71.58 0.72 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.97 0.414 . . . . 0.0 110.779 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.74 136.97 53.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.54 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.8 t -130.54 103.31 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.336 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.458 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 5.6 m-20 58.87 68.44 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.317 0.386 . . . . 0.0 111.882 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 20.7 m-20 76.33 -52.57 0.6 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.614 0.766 . . . . 0.0 112.856 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.0 m -67.84 130.11 32.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.499 0.666 . . . . 0.0 111.678 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -100.68 133.71 44.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.54 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -105.16 5.81 32.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.814 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -58.63 -36.75 74.58 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -111.93 33.22 4.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.592 0.234 . . . . 0.0 111.452 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 79.9 mtp -122.42 158.28 30.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.852 0.358 . . . . 0.0 110.814 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.08 151.38 46.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.614 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -52.37 -42.98 64.42 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.488 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 4.1 m-20 -68.6 -49.02 62.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.026 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -58.54 -42.08 87.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.379 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.24 -43.46 78.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.099 0.476 . . . . 0.0 110.604 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.1 t -71.01 -39.67 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.478 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 80.8 mtt180 -58.86 -49.61 77.09 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.314 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 49.7 t -64.08 -40.88 90.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.169 0.509 . . . . 0.0 110.024 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.09 -41.35 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.155 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -57.64 -37.41 73.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.085 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -66.65 -45.44 78.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.871 0.367 . . . . 0.0 110.555 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.4 mt -67.83 -40.53 83.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.212 0.53 . . . . 0.0 110.78 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.07 -33.36 63.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -87.4 9.61 20.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.394 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -101.72 167.33 10.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.35 74.88 0.92 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.927 0.394 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -158.94 169.53 35.23 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.716 -0.553 . . . . 0.0 111.716 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.66 139.47 69.71 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.576 2.184 . . . . 0.0 111.987 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.2 mt -120.69 116.55 50.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.037 0.446 . . . . 0.0 111.005 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.8 m -102.39 122.93 45.25 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.4 mt -107.43 125.54 51.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.911 0.386 . . . . 0.0 111.548 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.1 97.54 7.62 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.4 m -99.79 144.98 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.348 0.594 . . . . 0.0 112.324 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.66 111.48 23.98 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.48 178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.51 -179.524 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 84.9 mt -94.78 114.37 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.723 0.297 . . . . 0.0 110.359 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.7 mt -115.21 132.32 64.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.807 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -108.18 112.68 25.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.909 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.1 m -104.27 135.43 42.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.208 0.528 . . . . 0.0 111.721 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -105.77 120.42 41.66 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.2 mt -102.94 152.44 21.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.417 0.627 . . . . 0.0 112.491 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -100.92 110.22 22.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.81 -1.087 . . . . 0.0 109.552 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 98.9 mmm -94.04 11.16 30.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.452 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -77.2 -56.21 4.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.367 0.604 . . . . 0.0 109.537 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -82.06 -36.49 27.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.637 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -86.25 156.88 20.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -116.82 -31.37 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.332 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -132.55 162.49 31.13 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.029 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.23 -36.01 21.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.974 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.45 51.45 8.39 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.366 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 pt -152.19 105.94 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 116.678 0.239 . . . . 0.0 110.701 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -74.18 129.63 38.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.318 0.58 . . . . 0.0 110.706 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mm -85.58 125.45 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.172 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.9 t -107.65 125.87 64.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.055 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.94 114.29 4.87 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.59 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.478 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 8.1 tt0 -87.04 127.71 35.1 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.51 ' OG ' ' HA2' ' A' ' 27' ' ' GLY . 35.4 t -157.32 131.25 8.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.693 0.282 . . . . 0.0 110.303 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -123.65 -92.87 0.52 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.368 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -101.48 -43.97 5.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.817 0.341 . . . . 0.0 110.516 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.442 ' HB3' ' OD2' ' A' ' 28' ' ' ASP . 16.9 mmt85 -73.88 -56.44 4.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.466 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.51 ' HA2' ' OG ' ' A' ' 23' ' ' SER . . . 113.83 -23.19 13.44 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.272 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' OD2' ' HB3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -82.02 48.23 1.21 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.913 0.387 . . . . 0.0 111.72 -179.474 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -72.38 -46.49 33.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.387 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.55 171.94 19.2 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.371 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.7 pt -105.66 127.7 60.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.015 0.436 . . . . 0.0 110.6 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 49.3 m-85 -123.01 160.39 26.38 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.862 -178.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.7 mm -80.66 118.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 50' ' ' PRO . . . -87.44 -73.64 1.28 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.872 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 p -124.37 136.99 54.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.03 0.443 . . . . 0.0 111.477 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 mt -97.87 140.93 16.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.72 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.1 mmt -111.32 126.24 54.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.536 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -63.76 132.29 50.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.902 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.75 -14.49 38.19 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.88 162.61 46.92 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.786 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.05 -33.41 68.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.791 0.329 . . . . 0.0 111.71 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.1 t -75.96 -34.65 27.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.31 -17.18 63.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.3 -4.27 58.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.425 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -101.15 -74.01 0.63 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.938 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.69 -23.54 17.21 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.523 -0.846 . . . . 0.0 114.158 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -64.09 -34.82 78.92 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.751 0.776 . . . . 0.0 111.578 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.0 mt -86.66 138.33 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.31 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -136.96 162.0 58.29 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.257 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.472 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 36.4 Cg_exo -61.2 105.0 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.296 1.997 . . . . 0.0 111.699 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.99 -17.47 3.62 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 93.5 m-20 -68.45 141.2 55.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.702 0.287 . . . . 0.0 110.295 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.48 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.2 ttt -99.04 133.72 42.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.789 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.2 mt -87.35 125.85 34.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.901 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.3 mt -102.97 -64.02 1.11 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.964 0.411 . . . . 0.0 110.948 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -124.03 139.58 53.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.481 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.46 100.71 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 m120 57.98 75.58 0.37 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.896 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 72.63 -51.76 0.7 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.9 m -71.73 129.35 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.36 0.6 . . . . 0.0 112.32 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -98.44 134.7 41.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.764 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -107.39 1.6 23.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -58.24 -42.22 85.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 111.538 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -103.96 33.85 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.039 0.447 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.8 mtp -125.28 165.18 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.333 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.8 p -76.57 158.31 31.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.202 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -62.73 -35.42 79.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.153 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 1.1 m-20 -70.14 -53.28 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -62.83 -33.18 74.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.149 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.52 -49.02 78.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.995 0.426 . . . . 0.0 110.368 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.458 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 94.8 t -70.32 -34.28 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.355 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 73.5 mtt180 -56.91 -51.88 67.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.66 -39.01 82.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.34 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.77 -41.73 87.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.457 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 31.6 mtp85 -58.99 -38.31 78.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -66.61 -43.19 85.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 110.587 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.2 mt -67.12 -41.11 86.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.104 0.478 . . . . 0.0 110.23 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.6 t -65.26 -31.74 55.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.988 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.6 m -89.46 12.3 16.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -111.15 156.86 20.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.695 0.283 . . . . 0.0 110.312 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.12 93.19 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.945 0.402 . . . . 0.0 111.012 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.89 172.94 45.41 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.024 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.34 116.22 4.52 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.663 2.242 . . . . 0.0 112.524 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.2 mt -92.78 130.1 42.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.686 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 m -120.87 116.92 26.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.037 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.4 mt -106.9 126.28 52.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.497 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.9 m -103.51 110.56 22.65 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.2 m -109.56 157.44 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.35 116.98 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.942 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 20.1 mtpp . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.061 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 61.9 t30 . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.57 0.224 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.4 mt -92.67 118.8 39.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.14 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -115.73 126.61 73.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 m -103.96 117.01 33.29 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.948 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.1 m -121.57 139.0 50.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.03 0.443 . . . . 0.0 111.59 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.7 147.42 28.56 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.444 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 14.1 mt -121.22 157.38 30.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.984 0.421 . . . . 0.0 111.436 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -99.52 106.2 18.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.912 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.7 mmm -89.86 18.78 5.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.406 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -95.43 -42.97 8.21 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -93.14 -14.52 27.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.304 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -120.2 153.75 35.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.293 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -111.17 -26.35 9.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.585 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -134.46 160.95 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.696 0.284 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.0 mt -83.38 -37.29 23.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.802 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.05 49.24 8.79 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.512 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pt -149.83 105.36 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.873 0.337 . . . . 0.0 110.715 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.3 p -72.21 133.88 45.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.294 0.568 . . . . 0.0 110.906 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mm -90.7 119.4 37.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.196 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -112.03 113.35 43.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.204 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.4 131.63 10.54 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.963 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -86.77 114.06 23.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.902 0.382 . . . . 0.0 110.38 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.6 164.5 12.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.398 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -174.86 -170.05 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -59.8 -44.16 94.09 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -77.47 -70.09 0.49 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.829 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.16 -11.82 7.24 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.683 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -83.25 39.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.173 0.511 . . . . 0.0 111.059 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.07 -37.45 82.52 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.826 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.2 168.81 33.16 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.221 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 pt -104.76 135.36 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.146 0.498 . . . . 0.0 111.275 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 79.3 m-85 -123.66 158.87 30.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.849 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.8 mm -76.15 112.22 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.75 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.19 -75.19 0.75 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.416 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.4 m -133.69 146.36 50.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.712 0.291 . . . . 0.0 110.924 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -102.07 139.25 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.951 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.6 mmt -109.2 129.95 55.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.321 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -67.97 130.8 44.08 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.05 -13.52 24.04 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.86 167.01 43.56 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.841 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.444 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -62.9 -33.1 74.6 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.5 t -67.72 -30.23 47.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 111.026 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.61 -9.92 58.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.47 -15.93 34.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.976 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -96.83 -76.19 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.33 -21.18 20.1 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.437 -0.887 . . . . 0.0 114.06 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -67.39 -24.61 65.7 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 117.682 0.741 . . . . 0.0 111.488 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.6 mt -88.84 135.15 26.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.4 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -133.51 160.34 69.01 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.153 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -62.19 110.56 1.05 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.321 2.014 . . . . 0.0 110.645 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 130.82 -15.14 5.45 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.834 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -68.62 143.2 54.9 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.404 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 49.9 ttp -97.19 133.58 41.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.653 0.263 . . . . 0.0 110.586 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.6 mt -86.11 117.55 25.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.035 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.7 mt -94.75 -69.3 0.76 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.148 0.499 . . . . 0.0 110.913 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -121.84 137.26 54.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.11 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.9 t -127.81 104.09 11.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.885 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 12.0 m120 51.86 74.52 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.298 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 66.2 m-20 75.45 -43.87 0.51 Allowed 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 178.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -75.52 121.81 28.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.126 0.489 . . . . 0.0 111.599 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -97.58 130.59 44.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.744 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -103.53 4.77 36.22 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -57.84 -31.65 66.86 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -118.08 34.85 4.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.754 0.311 . . . . 0.0 111.018 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 79.3 mtp -125.94 161.17 28.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.433 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 81.1 p -75.41 159.56 31.25 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.94 -36.31 79.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.068 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.26 -49.56 63.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.871 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -65.6 -38.88 90.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.664 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.53 -50.47 69.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.514 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.581 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 60.0 t -67.06 -37.68 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.898 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -55.66 -52.01 65.3 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.644 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 19.9 t -66.07 -40.74 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.434 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.16 -39.59 82.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.627 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 26.2 mtp180 -59.51 -38.86 82.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.015 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.29 -43.7 73.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.444 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.4 mt -65.93 -43.46 92.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.757 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.3 t -63.42 -35.36 72.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.0 m -87.62 9.93 19.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.928 0.395 . . . . 0.0 110.809 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -104.82 142.54 34.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.417 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.2 120.47 25.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.584 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.26 177.77 31.67 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.245 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -78.11 108.13 2.45 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.737 2.291 . . . . 0.0 112.524 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.7 mt -86.31 131.6 34.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.032 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 m -122.11 126.02 47.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.986 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.2 mt -111.5 135.55 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.003 0.43 . . . . 0.0 111.327 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m -109.38 103.8 12.78 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.4 m -103.81 146.26 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.203 0.525 . . . . 0.0 112.291 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.37 114.14 27.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.581 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.224 -0.894 . . . . 0.0 110.089 -179.57 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 54.1 mt -104.43 128.18 58.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.761 0.315 . . . . 0.0 111.149 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 mt -121.81 126.26 74.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 m -102.02 108.51 19.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 m -112.56 157.4 13.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.917 0.389 . . . . 0.0 111.647 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 t -117.07 140.84 49.0 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.5 mt -115.11 136.16 53.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.99 0.424 . . . . 0.0 111.765 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -86.94 112.18 21.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.472 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.8 mmm -98.5 11.29 38.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.915 0.388 . . . . 0.0 110.996 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.04 -47.65 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.052 0.453 . . . . 0.0 109.813 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -90.72 -15.95 29.35 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -104.5 166.77 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.263 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -124.03 -15.19 6.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.767 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -151.23 166.96 29.29 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.129 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.0 mt -86.29 -38.45 17.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.767 0.318 . . . . 0.0 110.828 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.38 52.65 7.35 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.991 -0.624 . . . . 0.0 112.077 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -154.35 106.99 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 116.867 0.334 . . . . 0.0 110.826 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.0 p -72.72 130.04 39.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.103 0.478 . . . . 0.0 110.457 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.465 HG13 ' CD2' ' A' ' 74' ' ' LEU . 10.3 mm -90.35 124.21 42.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.9 t -111.25 126.56 68.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.354 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.67 120.3 6.62 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.389 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -74.96 105.56 6.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.017 0.437 . . . . 0.0 110.397 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -93.83 148.39 22.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.355 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -163.63 -160.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.45 -48.6 69.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.55 0.214 . . . . 0.0 111.176 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -71.49 -59.9 2.52 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.4 -21.81 9.11 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.422 -0.894 . . . . 0.0 113.316 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -87.64 51.79 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.858 0.837 . . . . 0.0 110.68 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.95 -23.13 69.93 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.998 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.03 166.19 42.1 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.833 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.4 pt -101.94 135.5 38.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.167 0.508 . . . . 0.0 111.116 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -124.01 161.36 25.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.622 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.2 mm -81.53 116.92 26.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.822 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.48 -73.65 0.96 Allowed Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.551 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.9 m -140.67 150.69 43.82 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 122.768 -0.254 . . . . 0.0 110.812 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.5 mt -98.1 141.79 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.512 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.6 mmt -109.99 119.72 40.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.128 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -56.17 127.28 29.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.255 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.3 -19.29 20.09 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.996 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.93 168.95 54.42 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.799 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.55 -35.55 78.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.634 0.254 . . . . 0.0 111.363 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.6 t -74.19 -34.48 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.403 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.88 -28.02 69.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.169 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.88 -21.76 40.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.661 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -77.41 -73.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.609 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.56 -19.45 47.74 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.675 -0.774 . . . . 0.0 114.141 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -73.25 -28.1 61.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.767 0.784 . . . . 0.0 110.32 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.0 mt -91.59 139.24 18.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -146.58 162.2 35.01 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.815 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.96 117.8 4.27 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.64 2.226 . . . . 0.0 111.846 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.54 -18.15 8.23 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.623 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' CG ' ' HZ2' ' A' ' 90' ' ' LYS . 98.3 m-20 -68.95 145.3 53.74 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 88' ' ' VAL . 27.3 ttt -100.22 137.78 38.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.817 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.2 mt -94.01 122.51 36.58 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 51.7 mt -104.05 -74.79 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.014 0.435 . . . . 0.0 110.94 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -110.65 135.73 50.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.476 ' O ' HG23 ' A' ' 60' ' ' VAL . 77.6 t -129.37 97.5 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.01 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.478 ' OD1' ' HA ' ' A' ' 84' ' ' ILE . 5.0 m120 60.17 72.6 0.52 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.768 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 1.4 m-20 72.9 -45.63 0.63 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 57' ' ' VAL . 17.2 m -75.28 135.04 28.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.444 0.64 . . . . 0.0 111.461 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -103.14 138.08 40.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.861 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -111.1 4.36 19.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.746 0.308 . . . . 0.0 111.592 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -58.4 -34.11 70.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.266 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -117.21 36.66 4.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.028 0.442 . . . . 0.0 111.011 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.0 mtp -131.26 153.78 49.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.724 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.05 145.87 49.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.66 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -55.27 -46.8 76.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 110.812 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -39.91 87.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -66.93 -34.93 78.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.432 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.63 98.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.11 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 88.7 t -64.03 -37.84 80.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.122 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -56.61 -51.14 69.81 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.96 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.1 t -68.53 -37.75 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.118 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.465 ' CD2' HG13 ' A' ' 19' ' ' ILE . 45.2 tp -58.45 -43.37 88.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.54 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 3.0 mtp180 -58.24 -37.75 75.5 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.815 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.55 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 66.4 mm-40 -63.49 -43.96 95.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.559 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.6 mt -69.66 -41.36 80.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.63 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 t -64.84 -38.68 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.7 m -89.76 15.98 8.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.252 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.55 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -119.06 156.75 29.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.742 0.306 . . . . 0.0 110.177 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.34 145.43 26.33 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.322 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.35 173.25 13.26 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.57 131.56 11.54 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.475 2.117 . . . . 0.0 111.593 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.478 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 97.2 mt -99.74 122.36 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.752 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.1 m -107.37 113.16 26.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.917 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 mt -104.38 125.08 50.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.474 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.7 m -105.78 96.99 6.88 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 53' ' ' MET . 15.5 m -101.26 144.08 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.316 0.579 . . . . 0.0 112.474 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.24 114.45 27.94 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.403 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.419 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 23.5 mtpp . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.308 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 43.4 t30 . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.828 0.346 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 37.2 mt -98.52 126.43 51.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.921 0.391 . . . . 0.0 110.809 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -121.8 131.4 73.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.382 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.8 m -105.51 106.36 16.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.15 0.5 . . . . 0.0 110.574 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.4 m -106.12 157.14 6.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.672 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.03 143.34 49.11 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.5 mt -114.65 137.69 51.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.704 0.288 . . . . 0.0 111.145 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.44 ' OD1' ' HB2' ' A' ' 10' ' ' GLU . 27.2 t-20 -85.31 108.67 17.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.862 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.2 mmm -87.29 12.21 12.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.16 0.505 . . . . 0.0 111.403 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 55.0 mm-40 -84.12 -55.59 4.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -84.64 -23.11 29.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.653 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -112.72 140.03 47.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.634 0.254 . . . . 0.0 110.548 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -100.71 -23.71 14.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.044 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -130.44 154.03 48.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.134 0.492 . . . . 0.0 110.619 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -80.95 -36.97 30.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.487 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 50.74 6.5 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.392 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pt -151.22 102.94 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.912 0.356 . . . . 0.0 110.716 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.6 p -75.47 121.28 22.11 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.163 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.7 mm -78.15 131.41 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.582 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.8 t -113.44 122.38 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.753 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.65 120.19 5.6 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.435 -0.888 . . . . 0.0 111.886 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -83.1 114.35 21.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.876 0.369 . . . . 0.0 110.194 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.7 m -107.71 170.34 8.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.566 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -174.61 -161.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.34 -35.35 79.22 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.43 ' HB3' ' OD1' ' A' ' 28' ' ' ASP . 22.0 mmt85 -82.75 -60.06 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.48 -23.36 10.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.606 -0.807 . . . . 0.0 113.482 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' A' ' 26' ' ' ARG . 2.8 p-10 -79.7 47.36 0.84 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.133 0.492 . . . . 0.0 111.548 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.34 -38.12 53.53 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.494 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.41 168.17 26.69 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.354 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 pt -100.82 130.13 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.13 0.491 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.462 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 39.6 m-85 -120.13 157.75 28.33 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.805 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.3 mm -76.38 111.81 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.672 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.24 -66.28 2.06 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.795 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -146.15 152.87 39.96 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.637 -0.331 . . . . 0.0 111.0 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -103.96 137.41 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.395 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.4 mmt -101.32 125.34 47.94 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -61.51 122.81 16.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.464 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.31 -15.13 20.56 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.766 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.2 167.02 54.06 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.639 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.95 -33.6 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.5 t -74.2 -34.8 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.38 . . . . 0.0 110.432 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.86 -15.43 63.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.105 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.27 -21.9 27.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.956 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -84.68 -76.52 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.58 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.19 -23.61 12.47 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.409 -0.901 . . . . 0.0 114.188 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -69.21 -32.99 72.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.684 0.742 . . . . 0.0 111.169 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.7 mt -85.16 133.94 28.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -137.33 162.05 57.42 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.784 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.87 111.12 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.478 2.118 . . . . 0.0 111.336 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.5 -13.56 6.54 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.138 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.408 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 89.6 m-20 -69.41 145.14 53.08 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.462 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.5 ttt -99.62 130.15 45.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.617 0.246 . . . . 0.0 111.151 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.9 mt -85.45 121.77 28.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.335 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.3 mt -104.45 -60.77 1.54 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.187 0.518 . . . . 0.0 111.171 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -126.2 135.1 51.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.66 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 60' ' ' VAL . 85.4 t -131.13 101.0 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.108 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 62.4 61.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.964 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 74.78 -40.59 0.45 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.724 -1.125 . . . . 0.0 113.781 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 57' ' ' VAL . 33.4 m -71.29 129.73 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.325 0.583 . . . . 0.0 110.7 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -97.25 127.99 43.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.016 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -98.24 -5.35 33.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.713 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.57 -22.66 66.52 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.852 0.358 . . . . 0.0 111.437 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -111.71 30.91 6.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.903 0.382 . . . . 0.0 110.726 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.4 mtp -134.79 170.4 15.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.354 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.8 p -82.6 164.22 20.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -61.87 -32.0 72.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.359 0.599 . . . . 0.0 109.867 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 6.2 m-20 -74.06 -53.01 10.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.379 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -58.93 -39.29 81.14 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.643 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.45 -47.28 79.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.034 0.445 . . . . 0.0 110.993 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.78 -39.48 77.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.04 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 86.8 mtt180 -55.3 -50.4 69.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.9 t -70.29 -39.14 76.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.821 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.6 tp -56.48 -42.76 78.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.934 0.397 . . . . 0.0 110.52 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -57.23 -35.67 69.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.575 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 19.9 mm-40 -69.29 -36.21 76.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 111.282 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.7 mt -78.37 -39.64 24.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.211 0.529 . . . . 0.0 110.428 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.68 -37.38 79.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.01 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -92.9 23.0 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.898 0.38 . . . . 0.0 110.926 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 3.8 tp-100 -117.4 149.21 40.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.999 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 121.15 24.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.273 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.82 154.51 6.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.838 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.84 140.84 82.11 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.682 2.255 . . . . 0.0 112.536 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.2 mt -116.03 121.72 68.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.9 m -100.95 130.93 47.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.686 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.5 mt -113.78 118.45 34.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.021 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m -96.96 97.96 9.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.0 m -103.3 144.29 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.471 0.653 . . . . 0.0 112.528 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -106.3 121.84 45.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.746 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.408 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 22.6 mtpp . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.242 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 46.3 t30 . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.728 0.299 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.4 mt -93.83 123.4 45.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 110.946 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 mt -126.05 141.37 45.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.318 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 m -118.12 111.16 18.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.62 0.248 . . . . 0.0 110.482 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.78 146.49 22.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.921 0.391 . . . . 0.0 111.017 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.7 m -112.05 129.54 56.18 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.3 mt -105.6 144.44 32.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.298 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.449 HD22 ' HB2' ' A' ' 10' ' ' GLU . 13.8 t-20 -87.81 116.81 26.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.238 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 87.7 mmm -97.12 11.65 35.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.127 0.489 . . . . 0.0 111.254 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' HB2' HD22 ' A' ' 8' ' ' ASN . 60.8 mm-40 -83.11 -46.54 12.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.761 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -93.26 -12.32 30.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.403 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -110.89 152.22 26.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -109.16 -36.15 6.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.386 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -129.6 163.41 26.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.632 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.3 mt -86.1 -32.4 21.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.048 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.56 53.15 13.26 Favored Glycine 0 C--O 1.226 -0.39 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.789 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pt -150.46 103.73 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 116.852 0.326 . . . . 0.0 111.169 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.2 p -72.16 120.43 17.76 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.541 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.3 mm -81.3 130.5 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.499 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.7 t -122.42 111.75 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.11 125.11 6.77 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.382 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -78.1 123.16 26.54 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.17 160.06 21.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.776 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -172.5 -160.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.036 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.55 -42.86 97.44 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.161 0.288 . . . . 0.0 111.66 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -79.88 -67.47 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.196 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.9 -26.3 4.52 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.229 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -79.09 54.97 1.72 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.371 0.605 . . . . 0.0 111.536 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 -34.71 24.44 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.795 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.76 160.54 34.1 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.553 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 pt -93.74 133.0 36.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 0.0 110.993 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -120.17 157.93 28.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.5 mm -79.31 116.3 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.4 -67.67 1.54 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.84 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.14 147.04 36.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.475 0.179 . . . . 0.0 110.71 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.8 mt -100.36 137.18 28.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.215 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 16.1 mmt -104.43 133.51 49.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.344 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -61.91 136.73 58.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.643 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.15 -13.09 60.41 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.983 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.1 162.99 46.83 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.78 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.64 82.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.683 0.278 . . . . 0.0 111.569 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.78 -32.59 41.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.169 0.509 . . . . 0.0 110.731 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.5 -25.74 66.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.309 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.48 4.63 30.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.661 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -100.66 -80.94 0.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.505 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.34 -26.17 6.12 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.579 -0.819 . . . . 0.0 113.588 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -77.4 -37.7 51.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.128 0.464 . . . . 0.0 111.512 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 48' ' ' ILE . 63.0 mt -81.22 135.96 24.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -144.85 165.04 24.2 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.538 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.05 125.4 18.96 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.273 1.982 . . . . 0.0 111.424 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.35 -15.76 15.1 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.588 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.422 ' CG ' ' HZ2' ' A' ' 90' ' ' LYS . 98.1 m-20 -71.52 140.56 49.96 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.8 ttt -97.99 130.47 44.83 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 mt -86.97 124.22 32.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.771 0.32 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.1 mt -108.3 -77.59 0.6 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.893 0.377 . . . . 0.0 111.133 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -103.03 127.06 50.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.036 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 60' ' ' VAL . 97.1 t -123.86 95.9 3.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 1.6 m-20 59.74 69.75 0.69 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.906 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 78.3 m-20 78.34 -52.74 0.49 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.986 0.914 . . . . 0.0 113.169 178.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 57' ' ' VAL . 16.1 m -67.27 140.1 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.117 0.484 . . . . 0.0 111.607 -178.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -116.04 140.12 49.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.779 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -106.95 8.65 30.63 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.53 -38.99 78.92 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -109.88 32.14 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.277 0.561 . . . . 0.0 110.914 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.7 mtp -129.92 149.9 51.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.249 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.88 152.75 45.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.361 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -55.84 -43.2 76.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.9 0.381 . . . . 0.0 110.724 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.64 -51.81 65.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.347 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 73' ' ' VAL . 8.6 m-20 -63.75 -39.42 94.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.844 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.73 76.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.771 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.57 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 94.0 t -66.21 -41.39 89.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.232 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -55.1 -48.47 73.52 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 69' ' ' ASP . 61.5 t -68.61 -40.85 82.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.671 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.9 tp -57.5 -43.22 84.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.813 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 13.3 mtp85 -60.45 -35.28 75.49 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.157 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 25.9 mm-40 -66.9 -42.88 84.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.815 0.34 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 38.7 mt -72.55 -40.0 62.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.556 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.6 -38.98 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.053 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.1 m -89.9 24.98 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.899 0.38 . . . . 0.0 111.261 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 1.5 tp-100 -127.36 150.39 49.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.294 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.49 152.28 37.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.866 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.84 154.16 10.01 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.623 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.07 142.14 79.67 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.927 2.418 . . . . 0.0 112.029 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.6 mt -117.65 121.81 68.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.995 0.426 . . . . 0.0 110.832 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.7 m -101.26 117.99 36.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.781 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.8 mt -103.78 121.3 42.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.328 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -96.64 99.06 10.7 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.6 m -97.04 149.48 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.379 0.609 . . . . 0.0 112.08 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.24 112.38 21.52 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.306 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.422 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 23.8 mtpp . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.392 -0.813 . . . . 0.0 110.232 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 61.5 mt -97.17 132.12 42.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.546 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.7 mt -126.07 133.26 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.923 0.392 . . . . 0.0 110.908 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.66 108.37 18.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.925 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.5 m -112.43 156.35 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.876 0.369 . . . . 0.0 111.203 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 t -112.8 143.18 44.48 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.65 141.33 46.56 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.088 0.471 . . . . 0.0 111.519 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 26.1 t-20 -87.79 100.63 13.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.3 mmm -87.33 4.0 44.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.587 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -73.89 -60.43 2.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.577 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.43 -42.77 22.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.341 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 20.7 m80 -79.11 145.9 33.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.37 -179.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -101.29 -21.33 14.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.656 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -145.64 173.87 11.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 111.287 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -88.86 -42.71 11.7 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.494 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.44 46.91 7.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.23 -0.509 . . . . 0.0 112.844 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 pt -148.35 106.18 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.7 p -71.72 136.46 47.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.378 0.609 . . . . 0.0 111.03 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mm -92.03 127.86 44.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.34 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -114.84 112.84 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.738 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.3 104.62 2.73 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.047 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.615 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.4 tt0 -64.81 118.67 9.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.198 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -106.96 153.43 22.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.946 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -155.16 -175.34 5.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.4 -37.15 86.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.686 0.279 . . . . 0.0 111.182 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -77.13 -68.06 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.341 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.72 -29.82 1.84 Allowed Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.193 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -79.51 76.16 6.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.615 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -92.36 -63.97 1.12 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.307 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.35 147.96 9.27 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.15 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 pt -89.63 123.61 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.259 0.552 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 43.0 m-85 -114.94 157.37 23.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.462 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.8 mm -79.63 111.26 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.376 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.39 -80.3 0.51 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.912 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.42 146.46 50.47 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.788 0.327 . . . . 0.0 110.896 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 49' ' ' GLU . 35.2 mt -98.35 142.43 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.1 mmt -111.74 128.13 56.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.917 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -65.94 118.39 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.107 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.4 -11.95 8.47 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.13 169.74 44.33 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.12 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.413 ' HA ' ' CE1' ' A' ' 12' ' ' HIS . . . -64.69 -36.81 85.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.56 -32.15 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.982 0.42 . . . . 0.0 111.08 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.69 -4.64 24.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.039 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.41 9.73 27.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.477 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -108.79 -67.06 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.266 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.98 -17.76 41.0 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.493 -0.86 . . . . 0.0 114.699 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -78.91 -32.32 45.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 117.961 0.88 . . . . 0.0 111.556 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.43 HD12 HG22 ' A' ' 48' ' ' ILE . 67.1 mt -89.44 135.91 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.402 ' HA ' HD12 ' A' ' 36' ' ' ILE . 9.3 pt-20 -142.41 163.32 39.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.442 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.14 125.59 19.67 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.339 2.026 . . . . 0.0 111.75 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.44 -14.57 18.03 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.903 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 95.3 m-20 -74.14 146.62 43.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.47 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 26.9 ttt -105.39 137.97 42.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.491 0.186 . . . . 0.0 110.612 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.8 mt -88.52 119.47 29.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.2 mt -97.05 -67.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.099 0.476 . . . . 0.0 110.605 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -120.88 132.87 55.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.066 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.3 t -125.88 98.29 4.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.817 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.483 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 1.4 m-20 60.43 61.3 1.79 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.573 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 34.6 m-20 81.38 -45.18 0.2 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.21 1.004 . . . . 0.0 113.489 178.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.4 m -70.31 127.03 31.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.573 0.701 . . . . 0.0 110.775 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -97.58 133.62 41.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.413 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -109.29 5.03 23.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -61.26 -36.4 79.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.877 0.37 . . . . 0.0 111.267 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -110.91 36.27 3.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.929 0.395 . . . . 0.0 110.918 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 90.2 mtp -130.72 153.81 48.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.222 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.95 155.46 40.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.334 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -53.79 -47.27 70.95 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.026 0.441 . . . . 0.0 110.943 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.84 -51.96 67.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.164 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -59.97 -39.18 84.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.656 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.54 -47.53 83.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.057 0.456 . . . . 0.0 110.37 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.452 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 94.8 t -67.29 -38.19 80.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.57 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -58.28 -51.08 71.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.362 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.11 -41.18 91.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.819 0.343 . . . . 0.0 110.474 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.57 -42.07 87.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.551 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 33.5 mtp85 -58.71 -37.39 75.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -67.85 -36.84 81.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.989 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.7 mt -75.34 -41.32 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.284 0.564 . . . . 0.0 110.198 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.67 -33.94 64.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.204 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m -94.24 24.56 4.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.143 0.497 . . . . 0.0 110.659 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -120.33 177.27 5.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.268 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.19 127.54 55.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.518 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.87 158.73 7.76 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.938 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.37 124.97 14.18 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.718 2.279 . . . . 0.0 111.814 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.26 122.93 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.08 0.467 . . . . 0.0 111.139 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.43 123.75 46.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.924 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.0 mt -109.34 118.83 37.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.748 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -100.23 95.3 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.6 m -96.41 145.78 8.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.47 115.94 31.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.903 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 22.5 mtpp . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.559 -0.734 . . . . 0.0 109.763 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.574 0.226 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 mt -93.76 122.2 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.79 0.329 . . . . 0.0 110.292 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 mt -116.43 135.75 55.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.816 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 m -110.41 115.63 29.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.746 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.413 HG13 ' CZ ' ' A' ' 47' ' ' ARG . 27.8 m -120.75 145.37 27.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.01 0.433 . . . . 0.0 111.338 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.3 t -102.13 140.85 35.86 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.0 mt -117.77 129.89 55.96 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.919 0.39 . . . . 0.0 111.742 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -80.22 112.75 17.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.025 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mmm -98.39 15.77 23.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.985 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -83.71 -56.5 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -85.24 -19.9 30.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.31 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -99.41 145.98 26.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.561 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -113.15 -6.11 13.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.919 0.39 . . . . 0.0 110.38 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -156.27 161.99 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.131 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.43 HD23 HD13 ' A' ' 84' ' ' ILE . 60.1 mt -87.14 -35.1 18.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.346 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.67 53.28 8.54 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.769 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -154.67 104.99 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.973 0.387 . . . . 0.0 110.707 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.8 p -74.53 127.82 34.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.264 0.554 . . . . 0.0 110.649 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.7 mm -83.58 130.03 36.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.27 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.0 t -121.33 117.03 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.735 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.14 129.45 9.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.566 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -80.48 112.84 18.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.955 0.407 . . . . 0.0 110.126 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -98.81 151.65 20.58 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.171 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -163.57 -162.4 0.72 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -61.74 -48.97 78.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.641 0.258 . . . . 0.0 110.739 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -80.46 -50.97 9.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.789 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.54 13.78 25.3 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.827 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -100.25 26.9 6.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.99 0.424 . . . . 0.0 110.482 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.0 -43.16 97.08 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.35 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.23 166.16 28.85 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.245 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.0 pt -98.05 134.84 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.187 0.518 . . . . 0.0 111.383 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -124.55 161.44 26.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.501 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.1 mm -78.28 119.25 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.953 178.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.46 -80.59 1.12 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.627 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.3 m -124.2 146.8 48.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.979 0.418 . . . . 0.0 111.397 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.4 mt -102.24 143.85 14.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.214 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.3 mmt -112.07 131.98 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -62.62 134.52 56.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.569 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.77 -7.93 63.37 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.106 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.68 160.62 49.07 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.358 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.46 73.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.796 0.332 . . . . 0.0 111.363 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.5 t -71.15 -39.65 73.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 120.932 0.396 . . . . 0.0 110.769 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.3 69.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.276 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.2 -18.8 60.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -92.13 -64.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.973 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.9 -14.17 61.74 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.642 -0.79 . . . . 0.0 114.521 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' CZ ' HG13 ' A' ' 5' ' ' VAL . 45.7 mtm180 -72.45 -25.83 61.6 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 117.852 0.826 . . . . 0.0 111.75 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.6 mt -94.86 134.43 32.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -137.87 166.81 23.4 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.911 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.75 137.15 77.55 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.303 2.002 . . . . 0.0 111.897 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.57 -15.03 61.54 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.787 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -67.07 141.29 57.54 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.3 ttt -95.02 123.76 38.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.459 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 mt -86.93 112.94 22.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.8 mt -94.87 -61.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.89 0.376 . . . . 0.0 111.685 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -124.52 139.8 53.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.83 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.0 t -133.17 100.71 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.661 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 m120 62.29 67.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.382 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 73.47 -54.22 0.69 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.133 0.973 . . . . 0.0 113.314 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.5 m -63.01 119.34 6.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.55 0.691 . . . . 0.0 111.256 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -93.9 138.01 32.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.03 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -110.01 9.28 24.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.629 0.252 . . . . 0.0 111.464 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.56 -27.98 69.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.973 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -118.63 27.76 8.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.0 110.606 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 92.3 mtp -118.46 161.25 20.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.362 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.97 151.9 41.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.135 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -52.55 -49.63 64.5 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.357 0.411 . . . . 0.0 111.681 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.56 -49.6 76.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.654 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -38.9 88.49 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.224 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.22 -46.61 85.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.096 0.474 . . . . 0.0 110.185 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.7 t -66.38 -38.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.464 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 72' ' ' ARG . 62.9 mtt180 -58.12 -51.6 69.02 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.264 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.98 -42.38 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.47 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.8 tp -58.3 -41.27 84.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.064 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -58.58 -42.98 89.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.189 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -61.96 -39.38 91.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.42 -44.02 63.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.768 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.1 t -63.82 -33.48 62.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.332 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 m -88.14 8.11 28.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.309 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.24 160.16 16.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.939 0.399 . . . . 0.0 110.606 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 m -89.11 132.26 34.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.06 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.7 160.08 8.77 Favored Glycine 0 N--CA 1.452 -0.269 0 N-CA-C 111.911 -0.475 . . . . 0.0 111.911 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.5 138.78 67.0 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.989 2.459 . . . . 0.0 112.331 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.43 HD13 HD23 ' A' ' 15' ' ' LEU . 20.2 mt -105.77 128.15 60.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.5 m -103.11 110.97 23.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.184 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.0 mt -102.78 129.11 49.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.062 0.458 . . . . 0.0 111.331 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.15 101.25 8.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.9 m -106.36 147.78 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.286 0.565 . . . . 0.0 112.222 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.14 110.87 21.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.478 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.246 -179.343 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.3 t30 . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.6 mt -97.6 125.63 50.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.89 0.376 . . . . 0.0 110.454 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.7 mt -123.89 131.9 72.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.136 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -106.79 117.02 32.96 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.2 m -114.22 145.84 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.763 0.316 . . . . 0.0 111.423 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 t -107.55 128.42 54.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.0 mt -108.04 155.7 20.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.115 0.483 . . . . 0.0 111.564 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -99.88 113.17 25.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.619 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 98.8 mmm -95.96 20.53 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.585 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -99.06 -58.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -72.66 -28.83 62.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.252 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -105.75 155.35 19.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.613 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -117.19 -30.65 5.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.622 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -126.87 154.68 44.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.008 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.1 mt -78.78 -35.19 44.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.77 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.43 50.37 9.97 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.395 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 pt -152.65 107.16 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -71.17 137.36 48.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.347 0.594 . . . . 0.0 110.959 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.6 mm -94.07 119.52 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.081 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.5 t -114.07 116.52 52.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.96 137.18 13.74 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.437 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -95.85 114.61 26.35 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -123.02 104.37 9.18 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.994 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -102.7 -151.27 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -62.52 -43.21 99.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.01 0.433 . . . . 0.0 110.442 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -70.37 -61.42 1.78 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.306 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.38 -37.83 2.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.53 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -81.06 68.51 7.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.366 0.603 . . . . 0.0 110.95 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.04 -24.25 25.37 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.328 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.2 172.09 36.9 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.613 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 pt -112.51 132.76 60.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.038 0.447 . . . . 0.0 110.594 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -121.29 155.93 33.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.621 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.6 mm -72.71 124.54 29.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.131 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.75 -82.88 1.02 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.147 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.57 145.84 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.57 0.224 . . . . 0.0 110.72 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.9 mt -100.04 128.55 51.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.035 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.0 mmt -98.28 127.31 44.15 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.598 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -64.28 139.36 58.76 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.567 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.4 -9.99 61.13 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.366 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.02 168.69 47.31 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.337 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.18 -37.68 86.2 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.1 t -73.79 -33.53 37.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.877 0.37 . . . . 0.0 110.936 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.57 -19.92 65.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.393 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.97 -16.22 30.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.892 0.377 . . . . 0.0 110.986 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.46 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 10.1 t70 -89.82 -64.92 1.07 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.013 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.84 -15.37 63.2 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.562 -0.828 . . . . 0.0 114.347 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.46 ' HB2' ' OD1' ' A' ' 45' ' ' ASP . 67.0 mtm180 -69.52 -24.29 63.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.857 0.829 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 54.8 mt -96.93 137.88 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -138.65 161.71 57.05 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.557 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.96 124.45 16.31 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.329 2.019 . . . . 0.0 111.547 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.04 -19.84 17.52 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.661 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -64.29 133.46 52.76 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.8 ttt -91.1 131.72 36.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.299 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.9 mt -83.85 121.92 28.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.931 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.3 mt -107.17 -68.15 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.167 0.508 . . . . 0.0 110.731 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -111.66 123.23 49.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.822 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 60' ' ' VAL . 77.7 t -117.16 106.39 20.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.987 0.422 . . . . 0.0 110.67 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 84' ' ' ILE . 2.1 t30 55.61 60.66 3.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.464 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.6 t0 78.5 -36.96 0.2 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 57' ' ' VAL . 7.5 m -79.4 141.64 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.239 0.543 . . . . 0.0 111.014 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -102.85 139.74 38.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.263 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -116.63 4.31 13.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.399 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -56.24 -35.03 66.92 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -107.8 20.04 19.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 93.5 mtp -116.11 164.22 14.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.0 p -75.67 158.92 31.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.549 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -59.81 -41.19 90.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.11 0.481 . . . . 0.0 110.247 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.0 -51.64 67.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.999 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -65.63 -36.9 85.04 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.555 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.43 -48.15 77.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.916 0.389 . . . . 0.0 110.328 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.652 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 93.2 t -67.64 -39.15 81.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.417 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -55.16 -48.82 73.2 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.586 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 36.6 t -68.29 -40.5 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 0.0 110.216 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.7 tp -58.63 -39.71 81.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.554 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.652 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 41.3 mtp85 -56.56 -45.29 81.37 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.418 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 73.6 mm-40 -66.01 -40.53 91.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.158 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.23 -42.73 88.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.072 0.463 . . . . 0.0 110.808 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.1 t -67.6 -35.08 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.307 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.2 m -91.56 19.36 6.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.413 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 1.5 tp-100 -118.25 147.26 43.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.37 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.01 125.45 28.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.324 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.03 156.33 6.74 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.59 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.33 143.75 48.97 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.416 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 69.8 mt -118.18 127.2 75.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.552 -178.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 51.0 m -102.93 123.62 46.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.504 178.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.8 mt -107.95 129.08 55.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.958 0.408 . . . . 0.0 111.679 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -108.11 103.71 12.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.159 178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 m -108.0 150.41 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.32 0.581 . . . . 0.0 112.415 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.6 109.33 20.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.163 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.358 -0.829 . . . . 0.0 109.832 -179.818 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 66.4 t30 . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.8 mt -95.92 122.83 47.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.984 0.421 . . . . 0.0 110.588 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.7 mt -120.14 128.32 75.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.04 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -107.41 124.07 49.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.112 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 m -118.72 145.28 24.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.076 0.465 . . . . 0.0 111.737 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.21 115.76 30.72 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.6 mt -99.21 145.6 27.07 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.565 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -96.73 119.66 35.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.424 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.6 mmm -99.94 13.59 33.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.951 0.405 . . . . 0.0 111.397 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -83.89 -51.17 7.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -86.08 -30.46 22.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.55 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -97.03 144.86 26.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.231 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -108.6 -13.61 14.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.441 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -146.54 162.06 39.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.189 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.6 mt -84.02 -36.99 22.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.167 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.43 53.81 6.5 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.995 -0.548 . . . . 0.0 113.036 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -157.85 107.91 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 122.494 0.317 . . . . 0.0 110.559 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.1 p -75.46 130.34 38.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.153 0.501 . . . . 0.0 110.302 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.1 mm -83.81 130.22 36.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.434 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.5 t -121.61 114.49 43.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.934 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.74 132.87 11.42 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.946 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.408 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 9.4 tt0 -85.43 116.13 23.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.819 0.342 . . . . 0.0 110.232 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.2 m -98.25 164.64 12.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.09 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -172.94 -175.25 1.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.53 -24.13 66.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.304 0.573 . . . . 0.0 109.718 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -84.87 -76.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.626 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.57 -31.75 2.55 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.839 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -80.37 53.18 1.75 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.391 0.615 . . . . 0.0 111.436 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -77.52 -33.6 42.74 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.173 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.98 174.45 39.41 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.074 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 pt -111.74 131.35 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.112 0.482 . . . . 0.0 111.524 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -117.82 165.82 13.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.448 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.62 118.67 32.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.739 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -79.4 -76.94 0.94 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.652 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 m -132.07 143.8 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.523 -0.398 . . . . 0.0 110.97 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.2 mt -91.48 141.6 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.383 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 17.9 mmt -106.7 122.52 46.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.137 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -59.62 120.93 10.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.751 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.14 -6.67 28.88 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.248 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.42 166.28 45.56 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.573 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.9 -37.44 79.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.683 0.277 . . . . 0.0 111.673 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.409 ' CG1' ' HB ' ' A' ' 48' ' ' ILE . 98.6 t -72.15 -34.92 51.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.022 0.439 . . . . 0.0 110.82 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.42 -23.6 67.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.6 -23.0 40.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.354 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.4 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 13.7 t70 -81.39 -65.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.81 -17.75 54.04 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.37 -0.919 . . . . 0.0 114.491 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.4 ' HB2' ' OD1' ' A' ' 45' ' ' ASP . 65.3 mtm180 -76.23 -21.46 56.36 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.021 0.91 . . . . 0.0 111.882 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.409 ' HB ' ' CG1' ' A' ' 42' ' ' VAL . 32.7 mt -96.13 133.44 37.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.764 0.316 . . . . 0.0 110.151 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -142.82 165.21 27.73 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.17 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -53.3 126.39 21.49 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.359 2.039 . . . . 0.0 111.759 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.05 -20.36 16.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.328 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' CG ' ' HZ2' ' A' ' 90' ' ' LYS . 95.3 m-20 -68.28 136.81 54.05 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.1 ttt -97.98 130.35 44.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.756 0.312 . . . . 0.0 111.581 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.7 mt -82.61 108.69 16.19 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 49.4 mt -94.22 -51.88 4.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.007 0.432 . . . . 0.0 111.397 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -131.56 138.74 49.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.983 -178.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.653 ' O ' HG23 ' A' ' 60' ' ' VAL . 98.8 t -134.84 109.51 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.8 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m120 55.8 56.87 5.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.558 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 73.35 -14.74 0.6 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 57' ' ' VAL . 2.3 m -88.61 138.0 20.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 121.66 -0.65 . . . . 0.0 110.332 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -100.33 132.16 45.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.761 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -105.65 -3.98 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.393 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -65.02 -17.22 64.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.953 0.406 . . . . 0.0 111.683 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -117.1 18.85 14.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.966 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.5 mtp -123.38 155.86 36.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.759 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -68.72 157.84 35.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.538 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -56.44 -45.96 80.54 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.939 0.399 . . . . 0.0 110.626 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.41 -44.26 91.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.764 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.46 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 4.2 m-20 -62.37 -40.34 96.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.159 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.22 88.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.567 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.49 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 86.9 t -65.81 -41.44 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.409 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.46 ' HD2' ' HA ' ' A' ' 69' ' ' ASP . 91.3 mtt180 -55.99 -49.59 73.21 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.237 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.55 -41.96 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.9 tp -57.39 -43.63 83.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.659 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 24.1 mtp180 -57.88 -35.79 71.49 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.439 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 64.0 mm-40 -65.88 -37.55 86.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.0 mt -77.07 -41.11 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.5 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.8 t -65.16 -31.87 55.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.2 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.6 m -97.2 25.69 5.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.111 0.482 . . . . 0.0 111.188 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 2.3 tp-100 -124.83 151.39 45.3 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.77 118.39 27.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.915 0.388 . . . . 0.0 110.839 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.22 171.11 23.72 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.739 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.99 135.96 28.67 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.698 2.265 . . . . 0.0 112.253 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 72.8 mt -114.27 122.48 68.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.155 0.502 . . . . 0.0 110.69 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -114.73 120.16 39.14 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.612 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 mt -106.69 129.96 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.391 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -107.74 100.03 9.45 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 20.1 m -105.08 154.02 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.159 0.504 . . . . 0.0 111.777 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.02 120.86 42.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.496 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 23.6 mtpp . . . . . 0 C--O 1.253 1.247 0 CA-C-O 118.338 -0.839 . . . . 0.0 109.5 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.7 mt -99.57 130.72 48.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.869 0.366 . . . . 0.0 111.132 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 mt -124.49 129.02 73.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.584 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -109.27 118.15 35.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.998 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -117.41 143.49 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.812 0.339 . . . . 0.0 111.372 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 t -109.55 113.62 26.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.1 mt -94.52 137.63 33.41 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -84.04 112.38 20.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.506 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.0 mmm -96.92 20.05 11.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.248 0.547 . . . . 0.0 110.853 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -85.07 -49.82 7.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.532 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -88.66 -30.51 19.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.374 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -93.96 149.51 21.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.735 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -112.92 -10.36 13.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.06 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -151.14 162.05 41.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.816 0.341 . . . . 0.0 110.618 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -83.2 -39.29 21.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.408 ' O ' HG23 ' A' ' 17' ' ' ILE . . . 76.5 53.44 5.51 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.433 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.409 HG21 HG12 ' A' ' 36' ' ' ILE . 1.8 pt -155.21 106.68 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 116.636 0.218 . . . . 0.0 110.691 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.8 p -73.67 118.61 16.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.498 0.666 . . . . 0.0 110.374 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.0 mm -75.29 131.92 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.137 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.5 t -114.16 124.35 70.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.054 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.37 113.78 4.64 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.925 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.403 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.0 tt0 -76.15 115.12 15.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.11 0.481 . . . . 0.0 110.401 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.2 m -112.88 142.11 45.93 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.578 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -143.37 -160.74 1.15 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.151 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.06 -44.66 88.24 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.97 0.169 . . . . 0.0 111.113 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -72.79 -66.0 0.72 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.062 0.458 . . . . 0.0 110.054 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.46 -42.79 1.01 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.519 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -74.08 92.7 2.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.335 0.588 . . . . 0.0 110.591 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -114.0 -29.73 2.73 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.842 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.55 162.22 36.94 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.611 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.5 pt -101.13 128.97 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.135 0.493 . . . . 0.0 110.398 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 44.3 m-85 -117.74 162.4 18.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.235 -178.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.4 mm -82.05 121.08 34.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.742 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.32 -88.37 1.33 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.966 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.3 m -113.99 131.34 56.37 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.045 0.45 . . . . 0.0 111.634 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.409 HG12 HG21 ' A' ' 17' ' ' ILE . 47.2 mt -91.86 135.3 27.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.485 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 20.0 mmt -104.46 131.51 51.76 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.962 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -67.77 131.1 44.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.671 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.92 -9.78 34.26 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.33 164.98 36.96 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.706 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.16 73.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.56 0.219 . . . . 0.0 111.409 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.8 t -73.39 -39.28 54.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.681 0.276 . . . . 0.0 111.012 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.99 73.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.196 0.522 . . . . 0.0 110.246 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.73 -16.73 58.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.751 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -82.49 -65.55 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.12 -7.94 69.73 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.578 -0.82 . . . . 0.0 114.949 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -85.82 -26.08 25.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.272 1.036 . . . . 0.0 111.522 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.8 mt -92.52 137.59 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -138.95 162.84 50.31 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.613 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.21 129.7 36.21 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.549 2.166 . . . . 0.0 112.118 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.88 -20.28 22.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.656 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -72.8 143.29 47.95 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.553 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 25.0 ttt -100.04 139.83 35.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.741 0.305 . . . . 0.0 111.501 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.3 125.36 34.63 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.6 mt -103.6 -66.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.146 0.498 . . . . 0.0 111.021 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -121.62 137.37 54.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.632 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.1 t -133.97 101.06 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.083 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 4.7 m-20 64.18 58.89 1.1 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 28.7 m-20 77.91 -45.91 0.44 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.941 -1.027 . . . . 0.0 113.4 178.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 m -67.94 130.12 32.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.49 0.662 . . . . 0.0 110.951 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -98.44 133.62 42.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.538 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -107.19 -2.85 20.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.284 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.74 -41.2 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.111 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -108.31 30.0 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.042 0.448 . . . . 0.0 111.393 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.5 mtp -118.07 162.89 17.45 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.256 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.29 147.28 40.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.066 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -51.29 -47.47 62.53 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.019 0.438 . . . . 0.0 111.13 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.46 -51.32 70.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.367 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.429 ' O ' HG21 ' A' ' 73' ' ' VAL . 10.5 m-20 -65.31 -37.93 88.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.756 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.78 86.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.963 0.411 . . . . 0.0 110.296 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.6 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 78.0 t -65.71 -41.02 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.333 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -57.53 -50.86 71.7 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.702 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 69' ' ' ASP . 44.7 t -61.84 -41.32 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.749 0.309 . . . . 0.0 110.276 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.64 -39.4 84.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.149 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.6 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 59.7 mtp85 -58.64 -44.4 90.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -61.63 -45.08 95.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.654 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.17 -43.71 84.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.085 0.469 . . . . 0.0 110.716 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.3 t -63.24 -30.29 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.59 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.5 m -89.56 -1.46 58.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.875 0.369 . . . . 0.0 110.819 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.16 164.71 11.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.606 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.82 144.21 25.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.19 161.33 10.68 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.193 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -69.54 135.84 32.01 Favored 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 122.354 2.036 . . . . 0.0 111.985 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -107.72 121.55 60.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.788 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -100.27 119.42 38.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.76 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.8 mt -105.85 129.94 53.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.657 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.24 103.32 11.46 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.6 m -107.49 151.32 9.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.286 0.565 . . . . 0.0 112.409 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -106.57 110.86 23.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.48 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.282 -0.865 . . . . 0.0 110.734 -179.026 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.818 0.342 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.434 ' HA ' ' O ' ' A' ' 88' ' ' VAL . 7.5 mt -89.54 119.41 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.873 0.368 . . . . 0.0 110.96 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.7 mt -113.46 124.24 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.865 0.364 . . . . 0.0 110.411 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.2 m -96.91 113.77 25.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.841 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.5 m -122.52 143.1 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.997 0.427 . . . . 0.0 111.507 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -106.67 142.08 36.9 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.2 mt -117.05 142.57 46.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.156 0.503 . . . . 0.0 111.599 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -87.56 115.83 25.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.348 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 95.9 mmm -100.06 15.15 28.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.967 0.413 . . . . 0.0 111.437 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -86.94 -50.19 6.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.349 0.595 . . . . 0.0 109.635 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -87.79 -19.0 28.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.232 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -108.82 136.92 47.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.357 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -99.34 -10.37 22.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -152.07 167.66 27.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.695 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.7 mt -88.32 -39.09 14.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.51 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.4 47.3 9.1 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.541 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pt -148.9 106.75 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 116.801 0.3 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.6 p -73.43 130.24 39.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.393 0.616 . . . . 0.0 110.85 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 mm -87.67 129.71 38.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.732 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.1 t -119.1 116.25 50.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.001 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.58 131.95 10.74 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.929 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -87.98 102.88 15.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.063 0.458 . . . . 0.0 110.203 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -98.02 148.62 23.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.21 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -165.38 -167.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.72 -40.71 69.52 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.631 0.253 . . . . 0.0 110.963 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -81.41 -65.58 0.99 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.82 -26.11 6.29 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.222 -0.99 . . . . 0.0 113.714 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -85.28 44.11 1.07 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.156 0.503 . . . . 0.0 111.421 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.76 -32.51 81.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.626 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.69 168.58 27.52 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.334 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.4 pt -102.8 130.23 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.158 0.504 . . . . 0.0 111.057 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -118.54 157.26 27.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.304 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.6 mm -78.08 118.92 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.23 -68.43 1.44 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.693 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 p -137.27 144.06 42.51 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.43 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -102.64 134.73 42.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.1 mmt -108.74 135.04 50.62 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.972 0.415 . . . . 0.0 110.674 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -66.36 135.57 54.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.31 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.85 -14.3 37.92 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.433 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.96 164.73 41.05 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.382 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.3 78.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.705 0.288 . . . . 0.0 111.625 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -70.99 -35.31 58.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.824 0.345 . . . . 0.0 110.825 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.99 -22.95 66.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.503 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.92 -14.49 56.06 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.789 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -88.62 -73.29 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.1 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.08 -20.5 28.53 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.931 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -72.44 -31.11 65.2 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 117.391 0.596 . . . . 0.0 111.876 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.7 mt -86.39 137.56 20.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -141.42 162.1 49.08 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.169 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.13 129.92 37.46 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.043 1.829 . . . . 0.0 111.062 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.71 -13.85 32.35 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.426 -178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.471 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 86.3 m-20 -69.89 134.89 48.92 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.7 ttt -96.79 130.39 44.06 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.692 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.9 mt -87.95 125.54 34.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.1 mt -103.04 -71.24 0.73 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.125 0.488 . . . . 0.0 111.097 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -112.16 131.02 55.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.546 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 60' ' ' VAL . 78.0 t -122.8 103.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.596 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.6 m120 55.33 70.89 0.58 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.614 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 76.57 -50.51 0.58 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.901 0.881 . . . . 0.0 113.01 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -68.67 127.15 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.032 0.444 . . . . 0.0 111.95 -178.681 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -99.4 129.36 45.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.697 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -102.42 14.81 30.97 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -69.99 -14.94 62.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.637 0.256 . . . . 0.0 111.623 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -120.76 17.72 11.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.92 0.391 . . . . 0.0 110.84 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.421 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 76.7 mtp -122.97 149.55 44.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.006 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m -71.51 160.34 32.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.711 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -52.24 -44.24 64.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.246 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.34 -46.9 79.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.151 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.421 ' HB3' ' HE2' ' A' ' 65' ' ' MET . 4.3 m-20 -72.79 -37.46 67.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.554 -178.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.24 -47.07 79.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.197 0.522 . . . . 0.0 110.599 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 85.6 t -69.47 -35.34 66.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.512 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -55.88 -55.18 35.62 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.801 0.334 . . . . 0.0 110.941 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.64 -41.55 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.504 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.08 -43.69 91.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.065 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 44.6 mtp85 -59.46 -37.01 77.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.798 0.333 . . . . 0.0 110.882 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -70.27 -40.27 74.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.6 mt -69.5 -41.63 80.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.167 0.508 . . . . 0.0 110.077 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.1 t -62.69 -32.05 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.617 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.6 m -91.22 18.57 6.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 111.274 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.23 160.66 18.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.847 0.356 . . . . 0.0 110.171 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.58 98.36 8.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.39 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 178.64 169.47 39.39 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.862 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.89 126.73 15.74 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.679 2.252 . . . . 0.0 111.961 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 84.0 mt -103.99 129.36 56.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.567 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 m -124.86 125.95 44.79 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.0 mt -115.83 145.55 42.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.468 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 24.5 p -113.96 105.32 13.1 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 2' ' ' ILE . 10.6 m -96.06 127.35 48.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.301 0.572 . . . . 0.0 112.079 -178.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -93.7 94.99 8.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.91 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.471 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 19.9 mtpp . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.328 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.5 t30 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.94 0.4 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 63.1 mt -97.02 115.32 36.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.218 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.7 mt -114.72 137.78 47.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.906 0.384 . . . . 0.0 110.656 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -114.14 112.88 23.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.551 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 m -113.14 143.07 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.87 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -107.45 123.57 48.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.1 mt -93.29 142.26 27.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.4 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -91.9 112.23 24.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.1 mmm -95.12 13.13 26.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.491 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -86.52 -48.09 8.68 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -91.44 -9.99 42.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.623 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -115.97 155.3 28.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.832 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -120.95 -11.57 8.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.336 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -147.9 160.68 42.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.194 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 mt -87.8 -33.5 18.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.982 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.14 52.47 11.09 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.474 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -154.3 107.04 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 116.714 0.257 . . . . 0.0 110.638 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.5 p -74.14 123.69 24.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.367 0.603 . . . . 0.0 110.942 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.1 mm -81.81 123.88 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.094 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.4 t -116.24 115.8 50.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.295 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.73 132.45 11.16 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.816 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.411 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 9.1 tt0 -91.57 115.12 27.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.651 0.263 . . . . 0.0 110.693 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.55 162.56 12.85 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -163.84 -152.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -51.44 43.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.76 0.314 . . . . 0.0 110.506 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -77.04 -61.67 1.9 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.108 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.5 -25.33 3.62 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.367 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -77.46 68.14 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.5 0.667 . . . . 0.0 111.378 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -93.48 -35.29 6.27 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.155 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.29 161.96 34.08 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.412 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 pt -97.65 134.58 35.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.974 0.416 . . . . 0.0 110.995 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.496 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 59.5 m-85 -121.31 156.69 32.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.161 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.9 mm -74.52 112.95 12.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.04 -69.78 1.37 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.014 -0.612 . . . . 0.0 113.068 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.73 143.43 39.05 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.777 0.322 . . . . 0.0 111.52 -179.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -94.15 132.38 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.794 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 17.0 mmt -105.79 123.88 48.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.988 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -61.39 128.81 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.561 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.59 -15.81 19.5 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.13 166.01 43.9 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.414 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.95 -34.87 75.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.2 t -71.33 -32.93 48.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.54 -19.62 65.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.982 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.74 -11.27 54.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.247 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -96.9 -81.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.272 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.3 -13.02 16.27 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.201 -1.0 . . . . 0.0 114.23 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -73.7 -24.28 59.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.748 0.774 . . . . 0.0 111.023 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.1 mt -95.86 139.92 18.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.091 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -144.44 164.33 29.12 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.365 -0.38 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.85 121.91 10.89 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.368 2.046 . . . . 0.0 111.219 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.55 -19.94 9.64 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.672 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 99.9 m-20 -67.52 135.64 53.32 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.496 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 25.7 ttt -95.07 134.08 38.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.635 0.255 . . . . 0.0 110.791 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.2 mt -89.01 119.69 29.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.417 HD11 ' HB3' ' A' ' 89' ' ' ALA . 40.1 mt -100.44 -70.18 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.132 0.491 . . . . 0.0 110.512 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -114.49 132.09 56.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.83 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.5 t -124.92 91.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 64.49 75.74 0.37 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.882 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 72.67 -51.27 0.71 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.102 -0.954 . . . . 0.0 113.387 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 m -69.93 130.12 34.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.123 0.487 . . . . 0.0 111.709 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -107.07 138.14 43.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.887 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -111.19 10.13 21.83 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -55.99 -37.09 68.63 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -110.4 19.62 18.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.791 0.329 . . . . 0.0 111.263 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 94.0 mtp -113.43 153.88 27.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.806 0.336 . . . . 0.0 110.531 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.03 152.81 39.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.769 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -54.06 -46.34 71.92 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.097 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -62.05 -47.22 85.7 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.749 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -60.84 -38.28 84.95 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.784 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.03 83.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.271 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.4 t -68.82 -37.36 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.62 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -55.58 -56.18 23.36 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.648 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.5 -39.46 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.283 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.2 tp -57.47 -44.54 84.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.684 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -58.72 -37.58 76.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.386 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -67.12 -39.92 86.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.944 0.402 . . . . 0.0 110.569 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.3 mt -70.97 -41.97 77.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.46 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.24 -31.16 52.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.537 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.8 m -91.6 19.19 6.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.545 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -115.64 157.3 24.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.12 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.99 122.04 38.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.961 0.41 . . . . 0.0 111.201 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.74 179.72 26.73 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.165 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.64 121.2 5.44 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.118 2.545 . . . . 0.0 111.917 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.3 mt -101.94 118.91 49.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.693 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.2 m -100.45 129.88 46.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.627 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.5 mt -111.37 124.34 52.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.23 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.4 m -105.44 100.77 10.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.1 m -101.54 149.27 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -177.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.417 ' HB3' HD11 ' A' ' 55' ' ' LEU . . . -112.34 107.68 16.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.412 178.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.412 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 22.8 mtpp . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.232 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.3 mt -94.88 119.82 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.873 0.368 . . . . 0.0 110.729 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 87.5 mt -118.54 134.34 62.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m -105.12 97.3 7.17 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.0 m -89.02 150.32 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.914 0.387 . . . . 0.0 111.449 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 t -108.74 126.38 52.95 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.2 mt -108.46 130.07 55.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.998 0.428 . . . . 0.0 110.909 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -93.46 116.05 28.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.947 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.6 mmm -98.41 14.08 29.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.083 0.468 . . . . 0.0 111.057 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -80.97 -39.61 25.73 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -110.95 17.99 19.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.092 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -139.71 145.32 38.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -107.96 -23.88 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.872 0.368 . . . . 0.0 110.665 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -140.83 164.92 28.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.545 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.4 mt -84.77 -38.67 19.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.97 49.16 6.55 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.682 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -152.84 104.95 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.77 0.285 . . . . 0.0 110.903 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.9 p -72.8 121.58 20.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.311 0.577 . . . . 0.0 110.354 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.4 mm -79.23 130.15 36.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.965 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.3 t -119.06 120.73 64.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.22 115.88 4.58 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.135 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.49 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 8.7 tt0 -75.76 116.47 16.51 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.8 m -112.78 154.1 26.76 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.189 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -158.55 -169.1 2.62 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.28 -39.07 89.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.887 0.375 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -68.85 -50.1 52.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.449 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.4 -43.57 1.65 Allowed Glycine 0 C--O 1.237 0.334 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.525 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.56 87.75 5.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.54 0.686 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.49 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -105.65 -34.52 3.28 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.206 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.29 159.94 24.22 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.358 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 pt -99.1 127.09 52.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.123 0.487 . . . . 0.0 110.566 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 61.8 m-85 -118.69 155.3 31.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.007 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 mm -77.71 116.29 20.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.021 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.0 -78.13 1.02 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.006 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.33 138.74 54.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.951 0.405 . . . . 0.0 111.879 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.7 mt -97.78 136.88 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.339 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.0 mmt -111.46 132.85 54.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.895 0.379 . . . . 0.0 110.79 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -67.55 126.35 29.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.275 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.49 -14.2 13.3 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.553 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.43 167.28 40.87 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.227 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.49 74.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.775 0.321 . . . . 0.0 111.187 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.4 t -69.53 -34.45 61.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.24 -22.01 66.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.718 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.71 -13.5 45.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.429 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 14.2 t70 -88.95 -68.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.085 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.08 -18.66 54.18 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 120.801 -0.714 . . . . 0.0 114.551 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.429 ' HB2' ' OD1' ' A' ' 45' ' ' ASP . 80.0 mtm180 -75.36 -26.71 58.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 117.807 0.803 . . . . 0.0 111.384 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.437 HG22 HD12 ' A' ' 48' ' ' ILE . 64.4 mt -85.34 134.26 27.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -135.45 162.81 55.07 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.306 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.96 125.88 19.97 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.234 1.956 . . . . 0.0 111.159 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.39 -13.98 30.52 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.132 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -65.75 137.34 57.2 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.453 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 28.6 ttt -97.41 130.54 44.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.688 0.28 . . . . 0.0 111.286 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.28 115.38 26.72 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.8 mt -100.44 -47.27 4.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.126 0.488 . . . . 0.0 110.914 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -127.36 138.14 52.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.767 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.578 ' O ' HG21 ' A' ' 60' ' ' VAL . 80.8 t -136.58 109.12 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 3.7 m-20 54.91 59.81 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.216 0.322 . . . . 0.0 111.696 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 44.1 m-20 76.82 -45.51 0.49 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.578 HG21 ' O ' ' A' ' 57' ' ' VAL . 17.9 m -67.78 140.46 19.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.367 0.603 . . . . 0.0 111.547 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -98.73 138.5 35.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.744 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -112.57 1.91 16.01 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -64.03 -31.24 72.36 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.704 0.287 . . . . 0.0 110.919 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -105.16 31.83 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.068 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 72.2 mtp -135.13 159.37 41.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.3 p -74.83 159.34 32.05 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -55.71 -42.89 75.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.257 0.551 . . . . 0.0 110.089 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.0 -51.17 67.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.418 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 73' ' ' VAL . 8.6 m-20 -63.7 -36.2 83.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.48 77.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.054 0.454 . . . . 0.0 110.161 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.503 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 86.4 t -67.34 -36.43 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.313 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -56.64 -48.03 78.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.409 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 69' ' ' ASP . 28.3 t -69.32 -41.81 81.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.982 0.42 . . . . 0.0 110.062 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.3 tp -56.24 -42.04 76.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.948 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 31.6 mtp85 -58.37 -43.14 88.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.279 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -64.92 -37.94 89.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.69 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.61 -42.64 71.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.403 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.2 t -64.33 -39.58 86.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.386 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.6 m -78.12 -4.43 47.38 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.659 0.266 . . . . 0.0 111.686 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.42 155.02 17.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.722 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.79 168.51 19.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.964 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.16 -179.72 26.02 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.127 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.34 157.13 14.67 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.78 2.32 . . . . 0.0 112.12 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.5 mt -126.59 120.94 57.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.9 m -105.22 118.2 35.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.6 mt -107.44 133.73 51.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.012 0.434 . . . . 0.0 111.511 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 m -109.09 99.86 9.11 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.4 m -99.79 142.72 14.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.082 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.23 107.76 18.86 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.725 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.263 -179.546 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.953 0.406 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.4 mt -85.31 125.92 40.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.45 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.0 mt -128.55 133.78 65.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.647 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.93 120.87 42.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.024 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 85' ' ' SER . 19.6 m -113.84 139.46 39.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.771 0.319 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 m -106.58 107.64 18.75 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 mt -86.28 137.52 32.54 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.546 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -86.56 114.32 23.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.692 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mmm -97.4 13.81 28.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.488 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -85.76 -48.42 8.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.408 0.623 . . . . 0.0 109.39 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -91.68 -24.82 19.38 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.48 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -101.34 141.1 34.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.216 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -103.04 -28.73 11.81 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -132.94 156.12 47.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.201 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.3 mt -80.91 -36.93 30.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . 75.82 49.19 9.08 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.651 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.512 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 1.8 pt -148.46 104.0 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 116.955 0.378 . . . . 0.0 110.82 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.0 p -73.23 118.62 16.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.401 0.619 . . . . 0.0 110.713 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.5 mm -76.89 128.32 37.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.28 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.05 117.31 54.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.31 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.6 129.92 9.69 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.865 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -88.4 115.66 26.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.843 0.354 . . . . 0.0 110.581 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.96 140.7 37.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.92 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -150.27 -166.05 2.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.781 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.51 -44.36 97.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.559 0.218 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -75.49 -67.72 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.91 -22.49 4.04 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.168 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -83.25 55.84 3.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.412 0.625 . . . . 0.0 110.829 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.62 -25.22 54.31 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.156 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.06 165.93 39.8 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.959 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.8 pt -103.85 132.46 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.035 0.445 . . . . 0.0 110.522 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.479 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 56.1 m-85 -121.11 161.69 21.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.111 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.1 mm -81.99 117.71 28.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.984 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.92 -75.28 0.96 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.612 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.8 m -135.5 149.95 49.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.823 0.344 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 71.8 mt -100.14 128.95 51.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.046 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.7 mmt -94.55 123.21 37.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.259 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.27 125.62 24.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.79 -6.28 24.09 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.569 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.33 169.08 34.19 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.465 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.96 -34.63 77.92 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.77 -37.37 73.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.834 0.349 . . . . 0.0 111.0 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.81 -15.76 63.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.266 0.555 . . . . 0.0 110.56 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.99 -12.73 43.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.619 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -95.18 -74.14 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.962 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.82 -23.49 17.01 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.932 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -68.01 -33.28 74.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.404 0.602 . . . . 0.0 111.179 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.405 HG22 HD12 ' A' ' 48' ' ' ILE . 48.8 mt -85.36 135.91 23.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -141.06 161.16 55.04 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.089 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.79 120.3 6.88 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.459 2.106 . . . . 0.0 112.055 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.47 -7.95 22.49 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.611 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.492 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 85.3 m-20 -72.95 141.77 47.8 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.479 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.6 ttt -98.77 134.53 41.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.907 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.4 mt -89.29 120.6 30.79 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.6 mt -103.92 -64.77 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.167 0.508 . . . . 0.0 111.111 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 8.2 tt0 -120.9 134.89 55.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.462 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.678 ' O ' HG23 ' A' ' 60' ' ' VAL . 65.7 t -128.8 100.13 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 8.3 m120 58.86 60.44 2.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.383 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 14.3 m-20 77.39 -38.3 0.28 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.306 -0.861 . . . . 0.0 113.226 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 57' ' ' VAL . 2.3 m -66.58 142.12 17.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.143 0.497 . . . . 0.0 110.812 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -109.86 131.96 54.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -110.84 0.48 17.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.649 0.261 . . . . 0.0 111.282 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -61.9 -32.16 72.51 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -117.16 33.12 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.347 0.594 . . . . 0.0 110.606 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.2 mtp -121.64 160.68 23.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.55 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.05 149.94 47.14 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -53.08 -51.28 62.36 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.126 0.489 . . . . 0.0 110.802 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.449 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 1.3 m-20 -63.69 -42.53 97.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.913 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -63.99 -35.49 80.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.091 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.29 97.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.78 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.417 HG22 ' H1A' ' A' ' 91' ' ' SUZ . 94.7 t -67.64 -34.99 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.213 179.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 78.2 mtt180 -58.71 -54.59 45.31 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.123 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.47 -38.32 81.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.513 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.5 tp -59.3 -42.9 92.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.433 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -60.48 -35.17 75.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.212 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.31 -34.28 77.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.927 0.394 . . . . 0.0 110.629 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.5 mt -79.65 -43.25 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.194 0.521 . . . . 0.0 110.18 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.42 -28.97 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.389 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 m -99.04 28.46 4.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.979 0.419 . . . . 0.0 110.581 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -124.27 -179.1 4.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.171 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.93 140.49 39.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.788 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.12 169.2 12.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.665 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.56 131.07 19.39 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.004 2.469 . . . . 0.0 111.951 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.6 mt -102.16 116.63 46.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.195 0.521 . . . . 0.0 110.614 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 67.6 m -103.71 116.28 32.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.435 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.4 mt -105.19 124.06 48.9 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.939 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -101.75 104.48 15.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.7 m -102.77 151.05 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.32 107.46 18.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.474 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.492 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 25.4 mtpp . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.541 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.574 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 40.8 t30 . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.81 0.338 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.5 mt -88.74 122.9 40.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.568 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 mt -119.48 131.56 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.973 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 m -108.17 110.87 22.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.752 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 m -106.82 142.18 20.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.177 0.513 . . . . 0.0 111.883 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 t -109.64 113.19 25.76 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.6 mt -98.34 142.64 29.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.415 0.626 . . . . 0.0 112.233 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -90.65 112.89 24.81 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.472 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.5 mmm -99.35 25.04 7.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -92.13 -55.1 3.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -87.59 -0.56 57.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.318 0.58 . . . . 0.0 109.867 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -119.56 158.44 26.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.681 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -121.63 -15.32 8.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.679 0.276 . . . . 0.0 110.986 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -145.73 159.19 43.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.16 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.2 mt -83.24 -37.51 23.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.765 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.04 48.62 7.53 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.384 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.531 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 1.6 pt -144.18 101.61 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 116.636 0.218 . . . . 0.0 111.028 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -71.08 116.4 11.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.372 0.606 . . . . 0.0 110.23 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.7 mm -73.76 137.88 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.007 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.69 117.26 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.968 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.98 120.05 5.38 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.746 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -87.33 112.91 22.57 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m -113.18 147.74 36.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.586 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -151.4 -171.12 3.85 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.53 -29.88 64.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.98 0.419 . . . . 0.0 110.586 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -83.58 -57.76 3.1 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.86 -34.19 4.59 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.438 -0.887 . . . . 0.0 113.246 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.35 58.61 2.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.13 0.49 . . . . 0.0 111.676 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.54 -39.02 11.23 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.197 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.22 165.87 26.69 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.403 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 pt -101.14 128.6 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.967 0.413 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 58.1 m-85 -118.32 160.01 22.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.176 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.4 mm -81.52 116.78 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.691 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.47 -74.94 1.17 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.097 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.02 146.95 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.008 0.432 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 mt -107.77 135.56 46.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.381 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.3 mmt -101.49 128.98 47.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.755 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -64.58 133.78 53.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.549 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.07 -12.02 57.35 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.457 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.07 165.89 51.2 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.681 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.04 -34.98 74.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.578 0.227 . . . . 0.0 111.414 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.7 t -71.26 -40.74 74.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.11 0.481 . . . . 0.0 110.773 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.0 -10.78 53.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.977 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.21 -12.68 43.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.603 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -93.71 -69.03 0.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 110.18 -25.7 15.43 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.329 -0.938 . . . . 0.0 113.706 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -70.08 -31.21 68.68 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 117.238 0.519 . . . . 0.0 111.529 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.8 mt -83.19 135.08 25.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -144.7 160.07 48.69 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -49.85 126.77 17.42 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.615 2.21 . . . . 0.0 111.948 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.66 -16.72 26.06 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.055 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -68.17 139.53 56.11 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.491 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 28.2 ttt -100.25 128.9 46.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.671 0.272 . . . . 0.0 110.972 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.5 mt -85.52 110.51 19.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.105 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.0 mt -90.62 -65.23 1.03 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.289 0.566 . . . . 0.0 110.573 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -119.76 134.07 55.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.791 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.2 t -128.11 102.15 8.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.92 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 63.32 64.62 0.82 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.757 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 76.46 -48.04 0.55 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.992 0.917 . . . . 0.0 113.25 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 m -70.64 123.65 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.386 0.612 . . . . 0.0 111.415 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -95.58 126.47 40.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.239 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -99.11 11.46 38.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.75 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.82 -28.48 69.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.704 0.287 . . . . 0.0 111.269 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -110.93 19.28 18.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.067 0.461 . . . . 0.0 111.204 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 97.8 mtp -120.46 159.14 25.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.623 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.3 m -72.79 160.62 31.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -56.37 -48.11 77.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.719 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 1.1 m-20 -60.83 -47.27 87.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.493 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.91 -38.62 82.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.058 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.8 79.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.428 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.444 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 92.5 t -63.81 -35.34 72.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 65.5 mtt85 -58.16 -58.23 9.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.29 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.3 t -65.26 -33.44 63.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.043 0.449 . . . . 0.0 110.185 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.77 -41.28 90.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.013 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 1.1 mtt85 -62.95 -36.77 84.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 30.8 mm-40 -64.38 -35.38 80.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.038 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.6 mt -81.05 -44.0 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.357 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.1 t -63.18 -33.22 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.606 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -95.08 17.98 13.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.82 0.343 . . . . 0.0 110.755 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.509 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 4.8 tp-100 -114.79 164.08 14.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.739 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.08 132.77 41.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 139.06 -174.16 22.28 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.696 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -83.65 141.9 10.04 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.701 2.268 . . . . 0.0 112.176 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.5 mt -120.45 121.43 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.066 0.46 . . . . 0.0 111.092 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.7 m -104.13 126.56 51.34 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.115 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.9 mt -111.93 119.59 39.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.706 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.1 m -99.5 99.6 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.8 m -99.44 145.51 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.406 0.622 . . . . 0.0 112.481 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.17 107.09 17.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.813 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.295 -179.508 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.571 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 50.7 t30 . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.905 0.383 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 54.7 mt -90.89 123.27 42.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.877 0.37 . . . . 0.0 111.184 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.3 mt -126.01 129.58 72.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.939 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.7 m -100.98 119.24 38.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.5 m -107.47 137.44 38.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.637 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.4 t -107.91 118.58 37.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.4 mt -108.43 150.98 26.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.43 0.529 . . . . 0.0 112.43 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -92.88 126.46 37.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.758 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.3 mmm -109.22 21.14 17.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.991 0.424 . . . . 0.0 111.028 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -84.91 -54.81 4.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.103 0.477 . . . . 0.0 109.851 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -89.96 -16.85 29.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.23 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -100.18 135.13 42.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.3 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -101.22 -20.13 15.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.711 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -142.08 156.88 45.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.887 0.375 . . . . 0.0 110.766 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.1 mt -82.67 -34.81 27.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.42 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . 74.09 54.86 6.07 Favored Glycine 0 C--O 1.223 -0.586 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.398 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.495 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 1.0 OUTLIER -151.31 103.09 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 116.892 0.346 . . . . 0.0 110.857 -179.79 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.7 p -73.64 120.14 18.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.569 0.7 . . . . 0.0 110.658 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 mm -77.81 125.72 37.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.528 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.2 t -116.49 117.5 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.981 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.72 129.18 9.64 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.991 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.499 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 6.7 tt0 -97.0 121.74 39.22 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -129.57 150.34 50.94 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.102 0.477 . . . . 0.0 110.623 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -142.05 -147.1 0.2 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -60.41 -46.11 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.961 0.41 . . . . 0.0 110.028 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -74.47 -77.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.243 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.51 -22.09 2.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.827 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -79.34 50.06 1.05 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.095 0.474 . . . . 0.0 111.729 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.499 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -75.98 -37.13 39.19 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.676 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.48 159.18 27.95 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.513 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.5 pt -99.4 127.2 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.082 0.468 . . . . 0.0 110.372 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.459 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 86.0 m-85 -114.27 160.78 18.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.052 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.409 HG23 HD13 ' A' ' 33' ' ' ILE . 33.4 mm -81.78 117.15 27.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.569 178.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.57 -95.73 0.22 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.309 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.7 m -117.03 144.3 44.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.801 0.334 . . . . 0.0 110.759 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 74.7 mt -97.82 129.1 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.455 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 36.9 mmt -91.69 133.48 35.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.27 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -63.3 131.16 47.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.79 -9.99 57.13 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.692 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.79 161.87 42.53 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.226 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.39 -32.49 70.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.64 0.257 . . . . 0.0 111.661 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.2 t -74.55 -36.38 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.559 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.92 -21.82 65.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.286 0.565 . . . . 0.0 110.5 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.11 -10.06 53.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.775 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -93.06 -71.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.61 -20.44 32.04 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.542 -0.837 . . . . 0.0 114.243 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -71.12 -32.53 69.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 117.621 0.711 . . . . 0.0 111.323 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.7 mt -85.8 138.05 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -138.88 162.26 53.62 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.586 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.73 114.66 2.05 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.384 2.056 . . . . 0.0 111.588 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.46 -14.83 8.68 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.382 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -69.49 143.31 53.53 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.459 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.1 ttt -99.85 136.38 39.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.55 0.214 . . . . 0.0 111.282 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.4 mt -87.25 120.78 28.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.2 mt -102.25 -52.26 3.18 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.227 0.537 . . . . 0.0 111.001 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.8 139.35 45.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.555 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.5 t -133.62 101.2 3.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 61.64 67.83 0.74 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.934 0.397 . . . . 0.0 111.613 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 72.57 -46.01 0.64 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.2 m -68.79 135.71 27.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.346 0.594 . . . . 0.0 111.628 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -96.78 129.12 44.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.462 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -100.42 -5.68 26.78 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -59.79 -37.74 79.94 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.842 0.354 . . . . 0.0 110.95 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -102.57 37.62 1.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 76.6 mtp -139.8 149.7 43.83 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.97 154.27 31.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.403 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -55.56 -46.27 77.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.668 0.27 . . . . 0.0 111.162 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -64.54 -45.33 87.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.242 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.406 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 22.4 m-20 -62.43 -40.14 95.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.78 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.43 90.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.076 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.598 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 77.9 t -66.23 -43.58 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.801 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.406 ' HD2' ' HA ' ' A' ' 69' ' ' ASP . 91.1 mtt180 -51.4 -54.62 24.8 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.224 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.56 -37.21 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.04 -44.62 94.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.806 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 13.0 mtp180 -58.0 -39.88 79.37 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.666 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -63.45 -40.34 96.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.994 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.1 mt -73.23 -45.9 51.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.134 0.493 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.0 t -61.37 -28.98 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.531 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.3 m -91.82 -0.73 57.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.327 . . . . 0.0 111.286 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.75 156.27 17.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.429 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.3 m -84.78 136.98 33.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.991 0.424 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.26 158.86 8.24 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.451 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.74 138.91 72.01 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.77 2.313 . . . . 0.0 111.443 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.4 mt -117.03 126.01 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.962 0.411 . . . . 0.0 111.22 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.0 m -108.61 127.02 53.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.76 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.8 mt -111.59 121.37 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.946 0.403 . . . . 0.0 111.459 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.8 m -96.06 100.43 12.09 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 26.0 m -102.84 145.85 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.423 0.63 . . . . 0.0 112.157 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.95 105.97 16.26 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.729 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.522 -0.751 . . . . 0.0 110.365 -179.594 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.534 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 mt -94.2 133.45 35.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.7 mt -127.32 128.38 70.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.72 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.7 m -107.0 115.61 30.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.2 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.7 m -112.58 153.48 14.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.973 0.416 . . . . 0.0 110.998 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -112.88 136.51 52.45 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.7 mt -113.53 141.12 47.53 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.03 0.443 . . . . 0.0 110.876 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -91.9 113.04 25.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.292 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.3 mmm -92.36 9.67 33.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.203 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -86.48 -51.62 6.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.371 0.605 . . . . 0.0 109.684 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -86.28 -21.98 27.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.691 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -110.88 155.45 22.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.734 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -116.36 -28.52 6.48 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.038 0.447 . . . . 0.0 110.495 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -130.71 153.06 49.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.57 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.7 mt -78.07 -36.68 47.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.379 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.87 49.87 7.4 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.52 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.504 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 1.3 pt -149.24 104.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.6 p -76.7 114.11 15.09 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.527 0.679 . . . . 0.0 111.001 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mm -73.25 133.41 31.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.402 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.2 t -125.74 110.14 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.92 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.99 125.78 7.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.279 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.501 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.1 tt0 -81.16 113.77 19.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.746 0.308 . . . . 0.0 110.226 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -97.61 151.45 20.07 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -152.04 -175.63 5.32 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.56 -32.54 67.22 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.099 0.475 . . . . 0.0 110.27 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -88.1 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.33 -21.41 4.08 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.043 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -82.81 54.23 2.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.421 0.629 . . . . 0.0 111.547 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.501 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -78.45 -37.72 26.79 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.59 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.73 156.26 28.39 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.326 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.5 pt -92.02 129.57 42.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.241 0.543 . . . . 0.0 111.16 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -116.85 166.01 12.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.086 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.7 mm -87.4 117.18 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.484 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.31 -77.62 1.1 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.902 -0.665 . . . . 0.0 113.08 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m -126.05 149.91 48.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.705 0.288 . . . . 0.0 111.454 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.0 mt -105.12 130.78 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.943 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.2 mmt -96.24 130.4 43.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.604 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -69.31 125.41 26.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.923 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.52 -5.85 31.48 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.44 167.78 39.48 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.904 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.19 86.98 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.8 t -69.74 -35.02 63.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.014 0.435 . . . . 0.0 111.004 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.69 -15.29 61.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.452 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.22 -0.23 55.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.794 0.331 . . . . 0.0 111.403 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -102.15 -70.6 0.75 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.146 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.4 -26.05 15.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.844 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -65.23 -38.4 90.26 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 117.157 0.478 . . . . 0.0 111.754 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.4 mt -85.69 139.5 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.603 0.239 . . . . 0.0 110.373 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -147.02 162.25 33.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.138 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.31 116.49 3.1 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.5 2.133 . . . . 0.0 111.929 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 126.46 -18.31 6.44 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.263 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.465 ' CG ' ' HZ2' ' A' ' 90' ' ' LYS . 85.3 m-20 -71.69 146.54 48.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.7 ttt -104.83 136.26 44.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.426 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 mt -87.52 126.04 34.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.706 0.289 . . . . 0.0 110.482 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.6 mt -107.74 -54.63 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -128.72 139.94 51.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.05 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.2 t -133.87 109.29 12.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.816 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.486 ' OD1' ' HA ' ' A' ' 84' ' ' ILE . 3.2 m120 50.82 60.83 3.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.08 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 74.36 -18.68 0.4 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.914 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.7 t -84.69 123.49 39.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.904 0.383 . . . . 0.0 111.233 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -91.77 122.57 34.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.396 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -101.77 -1.96 31.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.789 0.328 . . . . 0.0 111.403 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -62.66 -22.59 66.57 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -119.04 28.06 8.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.93 0.395 . . . . 0.0 110.922 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.3 mtp -124.07 160.24 28.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.434 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.27 153.62 42.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.504 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -54.59 -48.33 72.27 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.02 -49.81 75.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.832 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -60.16 -39.43 86.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.387 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.32 -49.73 75.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.531 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.17 -35.35 73.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.69 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -60.06 -52.41 65.47 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.841 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.74 -38.05 81.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.14 0.495 . . . . 0.0 110.082 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.4 -40.33 86.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.255 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -57.0 -42.06 79.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.037 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 29.9 mm-40 -64.71 -37.08 86.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.352 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -76.11 -43.03 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.14 0.495 . . . . 0.0 110.536 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.39 -34.5 64.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.442 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 m -96.65 21.51 9.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.917 0.389 . . . . 0.0 110.765 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 2.8 tp-100 -115.69 168.91 9.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.309 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.59 151.36 20.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.298 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.55 159.51 12.14 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.826 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.58 125.7 13.7 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.822 2.348 . . . . 0.0 112.144 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.486 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 78.8 mt -92.92 131.26 40.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.138 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.7 m -114.03 124.36 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.97 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.5 mt -114.66 126.33 54.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.127 0.489 . . . . 0.0 111.766 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -105.31 102.5 11.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.33 154.22 7.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.263 0.554 . . . . 0.0 112.341 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.76 121.4 45.14 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.34 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.465 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 26.7 mtpp . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.357 -0.83 . . . . 0.0 109.826 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.574 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.7 t30 . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.811 0.338 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.4 mt -90.44 126.23 43.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.365 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.3 mt -125.53 130.02 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.02 0.438 . . . . 0.0 110.78 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.25 116.67 33.13 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.904 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 m -116.02 150.84 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.918 0.389 . . . . 0.0 111.033 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -114.09 131.06 56.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.6 mt -112.27 133.74 54.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.984 0.421 . . . . 0.0 111.516 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -88.03 109.42 19.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.361 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.0 mmm -93.32 18.62 9.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.508 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -91.19 -43.4 9.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -94.08 -17.32 22.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.328 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -115.12 141.42 48.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.008 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -108.04 -15.5 14.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.865 0.364 . . . . 0.0 111.374 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -138.93 157.5 45.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.999 0.428 . . . . 0.0 110.211 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -87.42 -32.26 19.62 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.242 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.97 54.34 14.68 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.309 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.482 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 1.1 pt -153.65 102.68 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.684 0.242 . . . . 0.0 110.795 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.5 p -74.53 127.97 34.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.42 0.628 . . . . 0.0 110.36 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.7 mm -81.67 128.58 38.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.996 -178.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -116.7 116.03 50.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.329 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.36 132.51 11.31 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.789 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -89.95 99.1 12.18 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.6 m -108.95 103.72 12.81 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.563 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -100.45 -139.57 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.518 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -76.24 -44.44 37.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.0 0.429 . . . . 0.0 110.752 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -73.2 -57.05 4.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.89 -25.27 7.61 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.729 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.63 54.87 3.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.218 0.532 . . . . 0.0 110.784 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.74 -43.48 6.81 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.158 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.52 167.21 21.86 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.085 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.9 pt -107.31 138.78 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.003 0.43 . . . . 0.0 111.038 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -123.09 158.01 31.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.352 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.6 mm -72.55 115.73 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' O ' ' HB3' ' A' ' 50' ' ' PRO . . . -79.46 -85.04 0.59 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.959 -0.638 . . . . 0.0 113.08 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -120.39 137.3 54.38 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 122.604 -0.351 . . . . 0.0 111.126 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.1 mt -95.87 134.24 34.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.562 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.8 mmt -102.54 127.03 49.78 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -62.25 117.82 6.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.19 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.62 -16.03 8.47 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.453 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.19 163.45 50.57 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.9 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.93 -34.65 73.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.748 0.308 . . . . 0.0 111.479 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.19 -34.75 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.949 0.404 . . . . 0.0 110.531 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.26 -6.74 47.93 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.63 -25.21 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -77.76 -73.07 0.33 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.977 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.07 -3.96 27.06 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.506 -0.854 . . . . 0.0 114.108 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -93.36 -28.8 15.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 117.626 0.713 . . . . 0.0 111.906 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.4 mt -88.18 137.38 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -140.64 161.98 51.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.309 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.459 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 40.4 Cg_exo -57.46 106.91 0.26 Allowed 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.467 2.111 . . . . 0.0 112.062 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.02 -19.87 3.65 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.592 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -67.39 138.06 56.42 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.3 ttt -91.08 137.23 32.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.643 0.259 . . . . 0.0 111.237 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.5 mt -90.06 115.15 27.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.929 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.5 mt -97.52 -78.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.169 0.509 . . . . 0.0 110.628 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -110.19 134.49 52.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.809 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.2 t -129.01 98.69 4.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.843 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 6.9 m120 62.6 71.13 0.53 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.48 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 58.3 m-20 74.12 -52.35 0.69 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.221 -0.9 . . . . 0.0 113.14 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.1 m -68.61 130.29 33.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.31 0.576 . . . . 0.0 111.327 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -105.75 132.02 52.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.441 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -99.87 6.31 45.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.762 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -54.86 -35.76 64.36 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 111.609 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -119.2 56.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.3 0.572 . . . . 0.0 110.483 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 39.2 mtp -146.58 166.06 27.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.958 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 77.6 p -73.83 156.85 37.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.692 0.282 . . . . 0.0 110.332 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -62.16 -30.58 71.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.195 0.521 . . . . 0.0 110.09 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -50.3 17.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.846 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -61.43 -34.57 75.62 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.488 0.185 . . . . 0.0 111.076 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.26 -46.74 82.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.195 0.521 . . . . 0.0 110.41 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.6 t -70.94 -36.27 63.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.272 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -57.23 -49.75 75.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.547 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.39 -38.49 81.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.866 0.365 . . . . 0.0 110.111 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.56 -41.8 95.31 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.326 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -57.72 -40.47 79.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.064 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -65.34 -45.85 82.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.5 mt -67.26 -40.72 85.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.18 -32.05 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.289 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 m -86.24 0.67 53.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.501 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.68 178.08 4.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.917 0.389 . . . . 0.0 110.979 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.4 p -108.02 135.58 49.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.5 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.86 -178.88 27.06 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.754 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -81.48 128.03 6.0 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.806 2.337 . . . . 0.0 111.568 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.0 mt -99.29 120.49 48.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.018 0.437 . . . . 0.0 110.683 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -111.73 117.21 32.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.757 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.9 mt -108.01 129.02 55.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.964 0.412 . . . . 0.0 111.963 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.7 95.33 5.58 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.5 m -99.34 148.47 6.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.512 0.672 . . . . 0.0 112.278 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.86 112.46 24.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.004 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.823 -179.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.538 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 . . . . . 0 N--CA 1.483 1.218 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.0 mt -100.03 118.97 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.584 0.231 . . . . 0.0 110.707 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.8 mt -111.51 132.76 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.009 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m -100.68 111.85 24.16 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 m -115.73 146.78 19.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.062 0.458 . . . . 0.0 111.683 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.1 t -119.65 134.9 55.04 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.0 mt -118.31 156.74 28.35 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.053 0.454 . . . . 0.0 111.797 -178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 27.4 t-20 -93.14 120.12 33.1 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.474 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mmm -101.01 10.53 40.98 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.304 0.378 . . . . 0.0 111.56 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -83.04 -57.75 3.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -80.04 -32.4 39.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.18 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 32.2 m80 -92.95 142.06 27.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.216 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -106.92 -12.4 15.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.599 0.238 . . . . 0.0 111.196 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -149.09 159.61 44.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.385 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.0 mt -80.56 -39.23 28.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.026 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.93 48.14 7.98 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.84 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.528 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 1.8 pt -150.57 103.05 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.681 0.24 . . . . 0.0 110.355 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.6 p -71.11 123.38 22.0 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.42 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.1 mm -82.34 127.68 39.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.435 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.8 t -116.85 118.61 59.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.732 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.22 121.33 5.59 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.213 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.414 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 6.6 tt0 -83.19 127.13 33.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.849 0.356 . . . . 0.0 110.586 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.8 m -138.4 163.14 32.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -156.22 -92.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.454 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -122.47 -36.53 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.042 0.448 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 -78.97 -56.57 4.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.71 -37.72 2.35 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.282 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -79.34 75.85 5.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.636 0.731 . . . . 0.0 111.395 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -98.29 -42.12 3.06 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.201 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.63 163.16 23.36 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.045 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.6 pt -99.76 127.93 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.946 0.403 . . . . 0.0 110.7 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 59.3 m-85 -117.24 160.23 21.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.99 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.9 mm -80.08 120.79 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.142 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.77 -81.14 0.89 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.54 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.2 m -130.18 142.99 50.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.784 0.326 . . . . 0.0 111.013 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.1 mt -94.38 131.02 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.893 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.5 mmt -97.6 125.19 42.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.427 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -64.86 120.84 13.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.112 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.96 -11.02 13.5 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.35 168.69 46.65 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.27 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.17 -34.92 77.33 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.68 -31.96 39.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.055 0.455 . . . . 0.0 110.796 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.94 -8.82 40.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.2 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.88 -3.71 29.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.833 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -95.85 -70.29 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.862 0.363 . . . . 0.0 110.121 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.26 -23.76 27.92 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.251 -0.976 . . . . 0.0 113.987 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -74.03 -32.56 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.707 0.754 . . . . 0.0 111.315 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.42 HD11 HG22 ' A' ' 48' ' ' ILE . 54.4 mt -82.31 131.16 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -133.27 161.01 66.36 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.347 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.35 126.33 20.49 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.06 1.84 . . . . 0.0 110.788 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.23 -16.57 22.31 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.956 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -66.83 144.08 56.5 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.466 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.3 ttt -99.6 133.4 43.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.635 0.255 . . . . 0.0 111.046 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.0 mt -89.74 124.7 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.9 mt -102.81 -67.75 0.86 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.005 0.431 . . . . 0.0 111.063 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -123.55 138.3 54.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.87 102.67 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.204 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 8.6 m120 63.42 66.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.74 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 39.9 m-20 74.91 -44.36 0.54 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.07 125.99 32.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.475 0.655 . . . . 0.0 111.342 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -96.34 136.51 36.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.449 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -111.38 3.52 18.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -58.57 -33.21 69.69 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.799 0.333 . . . . 0.0 111.16 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -115.8 43.22 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.033 0.444 . . . . 0.0 110.786 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 61.2 mtp -137.36 162.33 33.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.272 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.35 150.27 47.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.31 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -58.42 -47.07 85.14 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.842 0.353 . . . . 0.0 110.739 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.23 -49.8 74.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.487 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.482 ' O ' HG21 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -59.15 -40.25 84.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.072 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.31 -48.19 81.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.352 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.494 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 79.7 t -64.52 -37.76 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.206 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -59.04 -48.41 81.71 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.017 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.482 HG21 ' O ' ' A' ' 69' ' ' ASP . 39.0 t -64.05 -42.15 94.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.188 0.518 . . . . 0.0 109.872 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.2 tp -58.44 -40.55 82.87 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.301 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 32.7 mtp85 -57.82 -41.79 82.98 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.001 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -65.32 -42.84 92.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.6 mt -69.28 -43.73 81.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.18 -35.02 72.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.54 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.4 m -83.44 3.75 30.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.928 0.394 . . . . 0.0 111.01 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -109.07 156.28 19.97 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.9 m -95.19 123.13 38.52 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.869 0.366 . . . . 0.0 110.68 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.61 178.48 41.35 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -78.01 93.42 1.09 Allowed 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.492 2.128 . . . . 0.0 111.692 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 55.2 mt -71.92 119.96 19.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.565 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -122.36 125.87 46.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.24 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.58 151.66 46.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.91 0.386 . . . . 0.0 111.375 -178.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.7 p -114.56 113.49 24.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.426 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.4 m -101.03 129.59 51.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.166 0.508 . . . . 0.0 111.669 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -96.64 104.86 16.88 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.297 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.16 -0.924 . . . . 0.0 109.6 -179.529 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.578 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 42.9 t30 . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.897 0.38 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.8 mt -89.28 121.6 39.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.073 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.9 mt -118.77 132.74 67.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.088 0.47 . . . . 0.0 111.013 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -103.94 111.82 24.53 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 m -107.94 144.64 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.014 0.435 . . . . 0.0 111.471 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -104.35 136.46 43.9 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -121.42 133.78 55.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.954 0.407 . . . . 0.0 111.134 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -91.19 116.31 28.71 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.685 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.9 mmm -96.06 10.03 38.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.173 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -80.95 -37.37 29.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.24 0.543 . . . . 0.0 109.889 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -110.37 14.01 22.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.149 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -138.91 135.06 34.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.434 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -96.52 -28.29 14.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -137.51 164.8 27.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.902 0.382 . . . . 0.0 111.152 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -88.18 -35.63 17.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.8 51.58 7.0 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.784 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.541 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 0.5 OUTLIER -154.38 104.22 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 116.738 0.269 . . . . 0.0 110.351 -179.846 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.1 p -71.64 132.84 45.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.282 0.563 . . . . 0.0 110.76 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 mm -88.18 122.97 40.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.265 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.6 t -116.67 109.22 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.818 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 31' ' ' ILE . . . -81.93 134.01 12.63 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.364 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -83.52 107.93 16.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.27 0.557 . . . . 0.0 110.255 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.16 137.42 40.46 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.844 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -151.28 -169.76 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -36.26 77.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.966 0.413 . . . . 0.0 110.616 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -76.45 -65.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.327 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.32 -33.31 3.68 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.276 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -82.54 54.05 2.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.295 0.569 . . . . 0.0 111.449 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.39 -39.54 25.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.852 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.31 161.43 29.3 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.053 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.423 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . 9.7 pt -98.24 132.14 43.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.143 0.496 . . . . 0.0 111.326 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -118.83 156.46 29.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.731 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.2 mm -75.61 119.34 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.165 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.71 -86.0 1.01 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.205 -0.521 . . . . 0.0 113.189 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -116.49 136.83 52.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.739 0.304 . . . . 0.0 111.449 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.2 mt -94.68 139.22 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.858 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.5 mmt -113.15 124.97 53.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.674 0.273 . . . . 0.0 110.569 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -60.79 130.68 47.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.022 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.49 -15.55 24.64 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.825 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.03 165.05 43.08 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.655 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.63 76.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.747 0.308 . . . . 0.0 111.657 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.6 t -71.82 -37.25 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 110.546 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.78 -17.1 63.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.26 0.552 . . . . 0.0 110.315 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.45 -2.9 55.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.154 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -100.96 -72.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.856 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.44 -21.36 21.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.478 -0.868 . . . . 0.0 114.715 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -71.02 -25.87 62.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.604 0.702 . . . . 0.0 111.584 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mt -93.95 134.22 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -133.02 162.44 57.64 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.93 102.61 0.21 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.675 2.25 . . . . 0.0 111.75 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.16 -21.13 2.98 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.78 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -62.65 140.32 58.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.828 0.347 . . . . 0.0 110.224 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.3 ttt -98.13 133.34 42.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.668 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.4 mt -86.52 122.54 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.281 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.2 mt -102.35 -71.58 0.72 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.97 0.414 . . . . 0.0 110.779 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.74 136.97 53.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.54 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.8 t -130.54 103.31 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.336 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.458 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 5.6 m-20 58.87 68.44 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.317 0.386 . . . . 0.0 111.882 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 20.7 m-20 76.33 -52.57 0.6 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.614 0.766 . . . . 0.0 112.856 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.0 m -67.84 130.11 32.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.499 0.666 . . . . 0.0 111.678 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -100.68 133.71 44.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.54 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -105.16 5.81 32.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.814 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -58.63 -36.75 74.58 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -111.93 33.22 4.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.592 0.234 . . . . 0.0 111.452 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 79.9 mtp -122.42 158.28 30.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.852 0.358 . . . . 0.0 110.814 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.08 151.38 46.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.614 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -52.37 -42.98 64.42 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.488 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 4.1 m-20 -68.6 -49.02 62.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.026 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -58.54 -42.08 87.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.379 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.24 -43.46 78.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.099 0.476 . . . . 0.0 110.604 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.1 t -71.01 -39.67 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.478 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 80.8 mtt180 -58.86 -49.61 77.09 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.314 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 49.7 t -64.08 -40.88 90.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.169 0.509 . . . . 0.0 110.024 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.09 -41.35 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.155 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -57.64 -37.41 73.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.085 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -66.65 -45.44 78.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.871 0.367 . . . . 0.0 110.555 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.4 mt -67.83 -40.53 83.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.212 0.53 . . . . 0.0 110.78 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.07 -33.36 63.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -87.4 9.61 20.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.394 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -101.72 167.33 10.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.35 74.88 0.92 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.927 0.394 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -158.94 169.53 35.23 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.716 -0.553 . . . . 0.0 111.716 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.66 139.47 69.71 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.576 2.184 . . . . 0.0 111.987 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.2 mt -120.69 116.55 50.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.037 0.446 . . . . 0.0 111.005 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.8 m -102.39 122.93 45.25 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.4 mt -107.43 125.54 51.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.911 0.386 . . . . 0.0 111.548 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.1 97.54 7.62 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.4 m -99.79 144.98 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.348 0.594 . . . . 0.0 112.324 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.66 111.48 23.98 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.48 178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.51 -179.524 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.544 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 84.9 mt -94.78 114.37 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.723 0.297 . . . . 0.0 110.359 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.7 mt -115.21 132.32 64.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.807 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -108.18 112.68 25.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.909 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.1 m -104.27 135.43 42.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.208 0.528 . . . . 0.0 111.721 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -105.77 120.42 41.66 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.2 mt -102.94 152.44 21.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.417 0.627 . . . . 0.0 112.491 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -100.92 110.22 22.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.81 -1.087 . . . . 0.0 109.552 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 98.9 mmm -94.04 11.16 30.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.452 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -77.2 -56.21 4.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.367 0.604 . . . . 0.0 109.537 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -82.06 -36.49 27.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.637 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -86.25 156.88 20.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -116.82 -31.37 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.332 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -132.55 162.49 31.13 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.029 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.23 -36.01 21.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.974 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.42 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 74.45 51.45 8.39 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.366 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.559 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 1.6 pt -152.19 105.94 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 116.678 0.239 . . . . 0.0 110.701 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -74.18 129.63 38.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.318 0.58 . . . . 0.0 110.706 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mm -85.58 125.45 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.172 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.9 t -107.65 125.87 64.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.055 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.94 114.29 4.87 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.59 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.478 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 8.1 tt0 -87.04 127.71 35.1 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.51 ' OG ' ' HA2' ' A' ' 27' ' ' GLY . 35.4 t -157.32 131.25 8.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.693 0.282 . . . . 0.0 110.303 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -123.65 -92.87 0.52 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.368 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -101.48 -43.97 5.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.817 0.341 . . . . 0.0 110.516 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.442 ' HB3' ' OD2' ' A' ' 28' ' ' ASP . 16.9 mmt85 -73.88 -56.44 4.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.466 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.51 ' HA2' ' OG ' ' A' ' 23' ' ' SER . . . 113.83 -23.19 13.44 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.272 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' OD2' ' HB3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -82.02 48.23 1.21 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.913 0.387 . . . . 0.0 111.72 -179.474 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -72.38 -46.49 33.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.387 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.55 171.94 19.2 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.371 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.7 pt -105.66 127.7 60.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.015 0.436 . . . . 0.0 110.6 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 49.3 m-85 -123.01 160.39 26.38 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.862 -178.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.7 mm -80.66 118.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 50' ' ' PRO . . . -87.44 -73.64 1.28 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.872 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 p -124.37 136.99 54.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.03 0.443 . . . . 0.0 111.477 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 mt -97.87 140.93 16.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.72 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.1 mmt -111.32 126.24 54.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.536 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -63.76 132.29 50.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.902 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.75 -14.49 38.19 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.88 162.61 46.92 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.786 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.05 -33.41 68.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.791 0.329 . . . . 0.0 111.71 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.1 t -75.96 -34.65 27.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.31 -17.18 63.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.3 -4.27 58.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.425 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -101.15 -74.01 0.63 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.938 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.69 -23.54 17.21 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.523 -0.846 . . . . 0.0 114.158 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -64.09 -34.82 78.92 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.751 0.776 . . . . 0.0 111.578 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.0 mt -86.66 138.33 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.31 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -136.96 162.0 58.29 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.257 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.472 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 36.4 Cg_exo -61.2 105.0 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.296 1.997 . . . . 0.0 111.699 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.99 -17.47 3.62 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 93.5 m-20 -68.45 141.2 55.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.702 0.287 . . . . 0.0 110.295 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.48 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.2 ttt -99.04 133.72 42.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.789 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.2 mt -87.35 125.85 34.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.901 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.3 mt -102.97 -64.02 1.11 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.964 0.411 . . . . 0.0 110.948 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -124.03 139.58 53.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.481 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.46 100.71 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 m120 57.98 75.58 0.37 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.896 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 72.63 -51.76 0.7 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.9 m -71.73 129.35 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.36 0.6 . . . . 0.0 112.32 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -98.44 134.7 41.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.764 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -107.39 1.6 23.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -58.24 -42.22 85.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 111.538 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -103.96 33.85 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.039 0.447 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.8 mtp -125.28 165.18 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.333 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.8 p -76.57 158.31 31.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.202 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -62.73 -35.42 79.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.153 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 1.1 m-20 -70.14 -53.28 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -62.83 -33.18 74.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.149 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.52 -49.02 78.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.995 0.426 . . . . 0.0 110.368 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.458 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 94.8 t -70.32 -34.28 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.355 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 73.5 mtt180 -56.91 -51.88 67.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.66 -39.01 82.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.34 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.77 -41.73 87.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.457 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 31.6 mtp85 -58.99 -38.31 78.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -66.61 -43.19 85.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 110.587 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.2 mt -67.12 -41.11 86.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.104 0.478 . . . . 0.0 110.23 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.6 t -65.26 -31.74 55.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.988 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.6 m -89.46 12.3 16.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -111.15 156.86 20.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.695 0.283 . . . . 0.0 110.312 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.12 93.19 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.945 0.402 . . . . 0.0 111.012 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.89 172.94 45.41 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.024 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.34 116.22 4.52 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.663 2.242 . . . . 0.0 112.524 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.2 mt -92.78 130.1 42.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.686 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 m -120.87 116.92 26.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.037 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.4 mt -106.9 126.28 52.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.497 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.9 m -103.51 110.56 22.65 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.2 m -109.56 157.44 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.35 116.98 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.942 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 20.1 mtpp . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.061 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.561 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 61.9 t30 . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.57 0.224 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.4 mt -92.67 118.8 39.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.14 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -115.73 126.61 73.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 m -103.96 117.01 33.29 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.948 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.1 m -121.57 139.0 50.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.03 0.443 . . . . 0.0 111.59 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.7 147.42 28.56 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.444 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 14.1 mt -121.22 157.38 30.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.984 0.421 . . . . 0.0 111.436 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -99.52 106.2 18.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.912 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.7 mmm -89.86 18.78 5.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.406 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -95.43 -42.97 8.21 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -93.14 -14.52 27.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.304 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -120.2 153.75 35.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.293 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -111.17 -26.35 9.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.585 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -134.46 160.95 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.696 0.284 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.0 mt -83.38 -37.29 23.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.802 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.05 49.24 8.79 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.512 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.55 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 2.4 pt -149.83 105.36 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.873 0.337 . . . . 0.0 110.715 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.3 p -72.21 133.88 45.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.294 0.568 . . . . 0.0 110.906 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mm -90.7 119.4 37.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.196 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -112.03 113.35 43.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.204 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.4 131.63 10.54 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.963 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -86.77 114.06 23.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.902 0.382 . . . . 0.0 110.38 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.6 164.5 12.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.398 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -174.86 -170.05 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -59.8 -44.16 94.09 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -77.47 -70.09 0.49 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.829 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.16 -11.82 7.24 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.683 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -83.25 39.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.173 0.511 . . . . 0.0 111.059 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.07 -37.45 82.52 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.826 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.2 168.81 33.16 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.221 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 pt -104.76 135.36 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.146 0.498 . . . . 0.0 111.275 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 79.3 m-85 -123.66 158.87 30.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.849 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.8 mm -76.15 112.22 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.75 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.19 -75.19 0.75 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.416 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.4 m -133.69 146.36 50.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.712 0.291 . . . . 0.0 110.924 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -102.07 139.25 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.951 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.6 mmt -109.2 129.95 55.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.321 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -67.97 130.8 44.08 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.05 -13.52 24.04 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.86 167.01 43.56 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.841 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.444 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -62.9 -33.1 74.6 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.5 t -67.72 -30.23 47.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 111.026 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.61 -9.92 58.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.47 -15.93 34.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.976 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -96.83 -76.19 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.33 -21.18 20.1 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.437 -0.887 . . . . 0.0 114.06 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -67.39 -24.61 65.7 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 117.682 0.741 . . . . 0.0 111.488 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.6 mt -88.84 135.15 26.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.4 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -133.51 160.34 69.01 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.153 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -62.19 110.56 1.05 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.321 2.014 . . . . 0.0 110.645 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 130.82 -15.14 5.45 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.834 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -68.62 143.2 54.9 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.404 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 49.9 ttp -97.19 133.58 41.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.653 0.263 . . . . 0.0 110.586 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.6 mt -86.11 117.55 25.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.035 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.7 mt -94.75 -69.3 0.76 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.148 0.499 . . . . 0.0 110.913 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -121.84 137.26 54.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.11 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.9 t -127.81 104.09 11.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.885 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 12.0 m120 51.86 74.52 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.298 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 66.2 m-20 75.45 -43.87 0.51 Allowed 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 178.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -75.52 121.81 28.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.126 0.489 . . . . 0.0 111.599 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -97.58 130.59 44.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.744 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -103.53 4.77 36.22 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -57.84 -31.65 66.86 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -118.08 34.85 4.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.754 0.311 . . . . 0.0 111.018 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 79.3 mtp -125.94 161.17 28.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.433 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 81.1 p -75.41 159.56 31.25 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.94 -36.31 79.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.068 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.26 -49.56 63.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.871 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -65.6 -38.88 90.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.664 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.53 -50.47 69.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.514 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.581 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 60.0 t -67.06 -37.68 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.898 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -55.66 -52.01 65.3 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.644 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 19.9 t -66.07 -40.74 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.434 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.16 -39.59 82.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.627 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 26.2 mtp180 -59.51 -38.86 82.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.015 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.29 -43.7 73.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.444 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.4 mt -65.93 -43.46 92.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.757 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.3 t -63.42 -35.36 72.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.0 m -87.62 9.93 19.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.928 0.395 . . . . 0.0 110.809 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -104.82 142.54 34.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.417 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.2 120.47 25.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.584 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.26 177.77 31.67 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.245 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -78.11 108.13 2.45 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.737 2.291 . . . . 0.0 112.524 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.7 mt -86.31 131.6 34.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.032 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 m -122.11 126.02 47.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.986 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.2 mt -111.5 135.55 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.003 0.43 . . . . 0.0 111.327 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m -109.38 103.8 12.78 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.4 m -103.81 146.26 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.203 0.525 . . . . 0.0 112.291 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.37 114.14 27.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.581 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.224 -0.894 . . . . 0.0 110.089 -179.57 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.55 ' H9A' ' C ' ' A' ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 54.1 mt -104.43 128.18 58.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.761 0.315 . . . . 0.0 111.149 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 mt -121.81 126.26 74.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 m -102.02 108.51 19.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 m -112.56 157.4 13.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.917 0.389 . . . . 0.0 111.647 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 t -117.07 140.84 49.0 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.5 mt -115.11 136.16 53.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.99 0.424 . . . . 0.0 111.765 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -86.94 112.18 21.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.472 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.8 mmm -98.5 11.29 38.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.915 0.388 . . . . 0.0 110.996 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.04 -47.65 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.052 0.453 . . . . 0.0 109.813 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -90.72 -15.95 29.35 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -104.5 166.77 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.263 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -124.03 -15.19 6.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.767 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -151.23 166.96 29.29 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.129 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.0 mt -86.29 -38.45 17.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.767 0.318 . . . . 0.0 110.828 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.38 52.65 7.35 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.991 -0.624 . . . . 0.0 112.077 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.535 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 0.5 OUTLIER -154.35 106.99 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 116.867 0.334 . . . . 0.0 110.826 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.0 p -72.72 130.04 39.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.103 0.478 . . . . 0.0 110.457 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.466 ' H ' ' H19' ' A' ' 91' ' ' SUZ . 10.3 mm -90.35 124.21 42.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.9 t -111.25 126.56 68.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.354 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.67 120.3 6.62 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.389 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -74.96 105.56 6.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.017 0.437 . . . . 0.0 110.397 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -93.83 148.39 22.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.355 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -163.63 -160.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.45 -48.6 69.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.55 0.214 . . . . 0.0 111.176 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -71.49 -59.9 2.52 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.4 -21.81 9.11 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.422 -0.894 . . . . 0.0 113.316 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -87.64 51.79 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.858 0.837 . . . . 0.0 110.68 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.95 -23.13 69.93 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.998 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.03 166.19 42.1 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.833 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.4 pt -101.94 135.5 38.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.167 0.508 . . . . 0.0 111.116 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -124.01 161.36 25.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.622 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.2 mm -81.53 116.92 26.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.822 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.48 -73.65 0.96 Allowed Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.551 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.9 m -140.67 150.69 43.82 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 122.768 -0.254 . . . . 0.0 110.812 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.5 mt -98.1 141.79 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.512 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.6 mmt -109.99 119.72 40.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.128 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -56.17 127.28 29.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.255 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.3 -19.29 20.09 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.996 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.93 168.95 54.42 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.799 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.55 -35.55 78.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.634 0.254 . . . . 0.0 111.363 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.6 t -74.19 -34.48 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.403 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.88 -28.02 69.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.169 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.88 -21.76 40.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.661 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -77.41 -73.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.609 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.56 -19.45 47.74 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.675 -0.774 . . . . 0.0 114.141 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -73.25 -28.1 61.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.767 0.784 . . . . 0.0 110.32 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.0 mt -91.59 139.24 18.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -146.58 162.2 35.01 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.815 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.96 117.8 4.27 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.64 2.226 . . . . 0.0 111.846 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.54 -18.15 8.23 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.623 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' CG ' ' HZ2' ' A' ' 90' ' ' LYS . 98.3 m-20 -68.95 145.3 53.74 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 88' ' ' VAL . 27.3 ttt -100.22 137.78 38.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.817 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.2 mt -94.01 122.51 36.58 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 51.7 mt -104.05 -74.79 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.014 0.435 . . . . 0.0 110.94 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -110.65 135.73 50.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.476 ' O ' HG23 ' A' ' 60' ' ' VAL . 77.6 t -129.37 97.5 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.01 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.478 ' OD1' ' HA ' ' A' ' 84' ' ' ILE . 5.0 m120 60.17 72.6 0.52 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.768 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 1.4 m-20 72.9 -45.63 0.63 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 57' ' ' VAL . 17.2 m -75.28 135.04 28.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.444 0.64 . . . . 0.0 111.461 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -103.14 138.08 40.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.861 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -111.1 4.36 19.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.746 0.308 . . . . 0.0 111.592 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -58.4 -34.11 70.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.266 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -117.21 36.66 4.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.028 0.442 . . . . 0.0 111.011 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.0 mtp -131.26 153.78 49.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.724 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.05 145.87 49.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.66 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -55.27 -46.8 76.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 110.812 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -39.91 87.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -66.93 -34.93 78.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.432 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.63 98.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.11 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 88.7 t -64.03 -37.84 80.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.122 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -56.61 -51.14 69.81 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.96 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.1 t -68.53 -37.75 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.118 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.465 ' CD2' HG13 ' A' ' 19' ' ' ILE . 45.2 tp -58.45 -43.37 88.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.54 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 3.0 mtp180 -58.24 -37.75 75.5 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.815 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.55 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 66.4 mm-40 -63.49 -43.96 95.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.559 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.6 mt -69.66 -41.36 80.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.63 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 t -64.84 -38.68 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.7 m -89.76 15.98 8.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.252 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.55 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -119.06 156.75 29.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.742 0.306 . . . . 0.0 110.177 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.34 145.43 26.33 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.322 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.35 173.25 13.26 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.57 131.56 11.54 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.475 2.117 . . . . 0.0 111.593 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.478 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 97.2 mt -99.74 122.36 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.752 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.1 m -107.37 113.16 26.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.917 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 mt -104.38 125.08 50.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.474 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.7 m -105.78 96.99 6.88 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 53' ' ' MET . 15.5 m -101.26 144.08 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.316 0.579 . . . . 0.0 112.474 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.24 114.45 27.94 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.403 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.419 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 23.5 mtpp . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.308 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.554 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 43.4 t30 . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.828 0.346 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 37.2 mt -98.52 126.43 51.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.921 0.391 . . . . 0.0 110.809 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -121.8 131.4 73.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.382 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.8 m -105.51 106.36 16.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.15 0.5 . . . . 0.0 110.574 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.4 m -106.12 157.14 6.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.672 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.03 143.34 49.11 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.5 mt -114.65 137.69 51.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.704 0.288 . . . . 0.0 111.145 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.44 ' OD1' ' HB2' ' A' ' 10' ' ' GLU . 27.2 t-20 -85.31 108.67 17.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.862 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.2 mmm -87.29 12.21 12.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.16 0.505 . . . . 0.0 111.403 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 55.0 mm-40 -84.12 -55.59 4.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -84.64 -23.11 29.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.653 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -112.72 140.03 47.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.634 0.254 . . . . 0.0 110.548 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -100.71 -23.71 14.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.044 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -130.44 154.03 48.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.134 0.492 . . . . 0.0 110.619 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -80.95 -36.97 30.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.487 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.402 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 77.33 50.74 6.5 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.392 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.532 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 2.4 pt -151.22 102.94 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.912 0.356 . . . . 0.0 110.716 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.6 p -75.47 121.28 22.11 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.163 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.7 mm -78.15 131.41 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.582 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.8 t -113.44 122.38 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.753 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.65 120.19 5.6 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.435 -0.888 . . . . 0.0 111.886 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -83.1 114.35 21.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.876 0.369 . . . . 0.0 110.194 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.7 m -107.71 170.34 8.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.566 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -174.61 -161.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.34 -35.35 79.22 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.43 ' HB3' ' OD1' ' A' ' 28' ' ' ASP . 22.0 mmt85 -82.75 -60.06 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.48 -23.36 10.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.606 -0.807 . . . . 0.0 113.482 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' A' ' 26' ' ' ARG . 2.8 p-10 -79.7 47.36 0.84 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.133 0.492 . . . . 0.0 111.548 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.34 -38.12 53.53 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.494 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.41 168.17 26.69 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.354 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 pt -100.82 130.13 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.13 0.491 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.462 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 39.6 m-85 -120.13 157.75 28.33 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.805 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.3 mm -76.38 111.81 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.672 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.24 -66.28 2.06 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.795 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -146.15 152.87 39.96 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.637 -0.331 . . . . 0.0 111.0 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -103.96 137.41 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.395 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.4 mmt -101.32 125.34 47.94 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -61.51 122.81 16.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.464 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.31 -15.13 20.56 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.766 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.2 167.02 54.06 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.639 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.95 -33.6 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.5 t -74.2 -34.8 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.38 . . . . 0.0 110.432 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.86 -15.43 63.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.105 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.27 -21.9 27.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.956 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -84.68 -76.52 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.58 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.19 -23.61 12.47 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.409 -0.901 . . . . 0.0 114.188 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -69.21 -32.99 72.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.684 0.742 . . . . 0.0 111.169 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.7 mt -85.16 133.94 28.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -137.33 162.05 57.42 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.784 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.87 111.12 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.478 2.118 . . . . 0.0 111.336 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.5 -13.56 6.54 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.138 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 89.6 m-20 -69.41 145.14 53.08 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.462 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.5 ttt -99.62 130.15 45.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.617 0.246 . . . . 0.0 111.151 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.9 mt -85.45 121.77 28.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.335 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.3 mt -104.45 -60.77 1.54 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.187 0.518 . . . . 0.0 111.171 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -126.2 135.1 51.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.66 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 60' ' ' VAL . 85.4 t -131.13 101.0 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.108 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 62.4 61.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.964 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 74.78 -40.59 0.45 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.724 -1.125 . . . . 0.0 113.781 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 57' ' ' VAL . 33.4 m -71.29 129.73 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.325 0.583 . . . . 0.0 110.7 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -97.25 127.99 43.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.016 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -98.24 -5.35 33.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.713 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.57 -22.66 66.52 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.852 0.358 . . . . 0.0 111.437 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -111.71 30.91 6.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.903 0.382 . . . . 0.0 110.726 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.4 mtp -134.79 170.4 15.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.354 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.8 p -82.6 164.22 20.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -61.87 -32.0 72.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.359 0.599 . . . . 0.0 109.867 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 6.2 m-20 -74.06 -53.01 10.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.379 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -58.93 -39.29 81.14 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.643 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.45 -47.28 79.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.034 0.445 . . . . 0.0 110.993 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.78 -39.48 77.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.04 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 86.8 mtt180 -55.3 -50.4 69.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.9 t -70.29 -39.14 76.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.821 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.6 tp -56.48 -42.76 78.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.934 0.397 . . . . 0.0 110.52 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -57.23 -35.67 69.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.575 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 19.9 mm-40 -69.29 -36.21 76.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 111.282 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.7 mt -78.37 -39.64 24.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.211 0.529 . . . . 0.0 110.428 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.68 -37.38 79.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.01 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -92.9 23.0 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.898 0.38 . . . . 0.0 110.926 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 3.8 tp-100 -117.4 149.21 40.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.999 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 121.15 24.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.273 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.82 154.51 6.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.838 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.84 140.84 82.11 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.682 2.255 . . . . 0.0 112.536 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.2 mt -116.03 121.72 68.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.9 m -100.95 130.93 47.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.686 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.5 mt -113.78 118.45 34.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.021 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m -96.96 97.96 9.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.0 m -103.3 144.29 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.471 0.653 . . . . 0.0 112.528 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -106.3 121.84 45.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.746 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.408 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 22.6 mtpp . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.242 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.558 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 46.3 t30 . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.728 0.299 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.4 mt -93.83 123.4 45.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 110.946 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 mt -126.05 141.37 45.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.318 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 m -118.12 111.16 18.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.62 0.248 . . . . 0.0 110.482 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.78 146.49 22.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.921 0.391 . . . . 0.0 111.017 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.7 m -112.05 129.54 56.18 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.3 mt -105.6 144.44 32.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.298 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.449 HD22 ' HB2' ' A' ' 10' ' ' GLU . 13.8 t-20 -87.81 116.81 26.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.238 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 87.7 mmm -97.12 11.65 35.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.127 0.489 . . . . 0.0 111.254 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' HB2' HD22 ' A' ' 8' ' ' ASN . 60.8 mm-40 -83.11 -46.54 12.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.761 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -93.26 -12.32 30.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.403 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -110.89 152.22 26.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -109.16 -36.15 6.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.386 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -129.6 163.41 26.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.632 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.3 mt -86.1 -32.4 21.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.048 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.4 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 70.56 53.15 13.26 Favored Glycine 0 C--O 1.226 -0.39 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.789 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.525 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 2.4 pt -150.46 103.73 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 116.852 0.326 . . . . 0.0 111.169 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.2 p -72.16 120.43 17.76 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.541 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.3 mm -81.3 130.5 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.499 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.7 t -122.42 111.75 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.11 125.11 6.77 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.382 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -78.1 123.16 26.54 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.17 160.06 21.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.776 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -172.5 -160.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.036 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.55 -42.86 97.44 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.161 0.288 . . . . 0.0 111.66 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -79.88 -67.47 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.196 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.9 -26.3 4.52 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.229 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -79.09 54.97 1.72 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.371 0.605 . . . . 0.0 111.536 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 -34.71 24.44 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.795 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.76 160.54 34.1 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.553 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 pt -93.74 133.0 36.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 0.0 110.993 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -120.17 157.93 28.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.5 mm -79.31 116.3 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.4 -67.67 1.54 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.84 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.14 147.04 36.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.475 0.179 . . . . 0.0 110.71 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.8 mt -100.36 137.18 28.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.215 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 16.1 mmt -104.43 133.51 49.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.344 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -61.91 136.73 58.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.643 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.15 -13.09 60.41 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.983 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.1 162.99 46.83 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.78 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.64 82.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.683 0.278 . . . . 0.0 111.569 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.78 -32.59 41.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.169 0.509 . . . . 0.0 110.731 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.5 -25.74 66.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.309 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.48 4.63 30.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.661 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -100.66 -80.94 0.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.505 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.34 -26.17 6.12 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.579 -0.819 . . . . 0.0 113.588 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -77.4 -37.7 51.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.128 0.464 . . . . 0.0 111.512 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 48' ' ' ILE . 63.0 mt -81.22 135.96 24.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -144.85 165.04 24.2 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.538 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.05 125.4 18.96 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.273 1.982 . . . . 0.0 111.424 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.35 -15.76 15.1 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.588 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' CG ' ' HZ2' ' A' ' 90' ' ' LYS . 98.1 m-20 -71.52 140.56 49.96 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.8 ttt -97.99 130.47 44.83 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 mt -86.97 124.22 32.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.771 0.32 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.1 mt -108.3 -77.59 0.6 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.893 0.377 . . . . 0.0 111.133 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -103.03 127.06 50.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.036 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 60' ' ' VAL . 97.1 t -123.86 95.9 3.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 1.6 m-20 59.74 69.75 0.69 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.906 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 78.3 m-20 78.34 -52.74 0.49 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.986 0.914 . . . . 0.0 113.169 178.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 57' ' ' VAL . 16.1 m -67.27 140.1 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.117 0.484 . . . . 0.0 111.607 -178.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -116.04 140.12 49.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.779 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -106.95 8.65 30.63 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.53 -38.99 78.92 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -109.88 32.14 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.277 0.561 . . . . 0.0 110.914 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.7 mtp -129.92 149.9 51.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.249 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.88 152.75 45.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.361 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -55.84 -43.2 76.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.9 0.381 . . . . 0.0 110.724 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.64 -51.81 65.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.347 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 73' ' ' VAL . 8.6 m-20 -63.75 -39.42 94.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.844 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.73 76.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.771 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.57 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 94.0 t -66.21 -41.39 89.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.232 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -55.1 -48.47 73.52 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 69' ' ' ASP . 61.5 t -68.61 -40.85 82.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.671 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.9 tp -57.5 -43.22 84.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.813 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 13.3 mtp85 -60.45 -35.28 75.49 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.157 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 25.9 mm-40 -66.9 -42.88 84.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.815 0.34 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 38.7 mt -72.55 -40.0 62.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.556 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.6 -38.98 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.053 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.1 m -89.9 24.98 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.899 0.38 . . . . 0.0 111.261 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 1.5 tp-100 -127.36 150.39 49.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.294 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.49 152.28 37.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.866 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.84 154.16 10.01 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.623 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.07 142.14 79.67 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.927 2.418 . . . . 0.0 112.029 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.6 mt -117.65 121.81 68.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.995 0.426 . . . . 0.0 110.832 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.7 m -101.26 117.99 36.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.781 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.8 mt -103.78 121.3 42.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.328 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -96.64 99.06 10.7 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.6 m -97.04 149.48 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.379 0.609 . . . . 0.0 112.08 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.24 112.38 21.52 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.306 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.422 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 23.8 mtpp . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.392 -0.813 . . . . 0.0 110.232 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.562 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 61.5 mt -97.17 132.12 42.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.546 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.7 mt -126.07 133.26 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.923 0.392 . . . . 0.0 110.908 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.66 108.37 18.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.925 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.5 m -112.43 156.35 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.876 0.369 . . . . 0.0 111.203 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 t -112.8 143.18 44.48 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.65 141.33 46.56 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.088 0.471 . . . . 0.0 111.519 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 26.1 t-20 -87.79 100.63 13.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.3 mmm -87.33 4.0 44.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.587 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -73.89 -60.43 2.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.577 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.43 -42.77 22.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.341 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 20.7 m80 -79.11 145.9 33.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.37 -179.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -101.29 -21.33 14.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.656 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -145.64 173.87 11.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 111.287 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -88.86 -42.71 11.7 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.494 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.416 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 79.44 46.91 7.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.23 -0.509 . . . . 0.0 112.844 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.548 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 3.8 pt -148.35 106.18 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.7 p -71.72 136.46 47.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.378 0.609 . . . . 0.0 111.03 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mm -92.03 127.86 44.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.34 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -114.84 112.84 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.738 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.3 104.62 2.73 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.047 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.615 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.4 tt0 -64.81 118.67 9.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.198 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -106.96 153.43 22.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.946 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -155.16 -175.34 5.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.4 -37.15 86.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.686 0.279 . . . . 0.0 111.182 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -77.13 -68.06 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.341 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.72 -29.82 1.84 Allowed Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.193 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -79.51 76.16 6.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.615 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -92.36 -63.97 1.12 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.307 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.35 147.96 9.27 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.15 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 pt -89.63 123.61 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.259 0.552 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 43.0 m-85 -114.94 157.37 23.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.462 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.8 mm -79.63 111.26 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.376 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.39 -80.3 0.51 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.912 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.42 146.46 50.47 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.788 0.327 . . . . 0.0 110.896 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 49' ' ' GLU . 35.2 mt -98.35 142.43 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.1 mmt -111.74 128.13 56.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.917 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -65.94 118.39 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.107 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.4 -11.95 8.47 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.13 169.74 44.33 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.12 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.413 ' HA ' ' CE1' ' A' ' 12' ' ' HIS . . . -64.69 -36.81 85.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.56 -32.15 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.982 0.42 . . . . 0.0 111.08 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.69 -4.64 24.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.039 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.41 9.73 27.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.477 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -108.79 -67.06 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.266 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.98 -17.76 41.0 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.493 -0.86 . . . . 0.0 114.699 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -78.91 -32.32 45.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 117.961 0.88 . . . . 0.0 111.556 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.43 HD12 HG22 ' A' ' 48' ' ' ILE . 67.1 mt -89.44 135.91 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.402 ' HA ' HD12 ' A' ' 36' ' ' ILE . 9.3 pt-20 -142.41 163.32 39.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.442 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.14 125.59 19.67 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.339 2.026 . . . . 0.0 111.75 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.44 -14.57 18.03 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.903 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 95.3 m-20 -74.14 146.62 43.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.47 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 26.9 ttt -105.39 137.97 42.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.491 0.186 . . . . 0.0 110.612 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.8 mt -88.52 119.47 29.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.2 mt -97.05 -67.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.099 0.476 . . . . 0.0 110.605 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -120.88 132.87 55.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.066 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.3 t -125.88 98.29 4.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.817 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.483 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 1.4 m-20 60.43 61.3 1.79 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.573 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 34.6 m-20 81.38 -45.18 0.2 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.21 1.004 . . . . 0.0 113.489 178.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.4 m -70.31 127.03 31.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.573 0.701 . . . . 0.0 110.775 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -97.58 133.62 41.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.413 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -109.29 5.03 23.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -61.26 -36.4 79.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.877 0.37 . . . . 0.0 111.267 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -110.91 36.27 3.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.929 0.395 . . . . 0.0 110.918 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 90.2 mtp -130.72 153.81 48.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.222 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.95 155.46 40.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.334 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -53.79 -47.27 70.95 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.026 0.441 . . . . 0.0 110.943 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.84 -51.96 67.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.164 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -59.97 -39.18 84.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.656 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.54 -47.53 83.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.057 0.456 . . . . 0.0 110.37 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.452 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 94.8 t -67.29 -38.19 80.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.57 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -58.28 -51.08 71.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.362 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.11 -41.18 91.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.819 0.343 . . . . 0.0 110.474 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.57 -42.07 87.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.551 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 33.5 mtp85 -58.71 -37.39 75.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -67.85 -36.84 81.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.989 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.7 mt -75.34 -41.32 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.284 0.564 . . . . 0.0 110.198 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.67 -33.94 64.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.204 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m -94.24 24.56 4.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.143 0.497 . . . . 0.0 110.659 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -120.33 177.27 5.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.268 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.19 127.54 55.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.518 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.87 158.73 7.76 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.938 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.37 124.97 14.18 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.718 2.279 . . . . 0.0 111.814 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.26 122.93 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.08 0.467 . . . . 0.0 111.139 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.43 123.75 46.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.924 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.0 mt -109.34 118.83 37.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.748 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -100.23 95.3 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.6 m -96.41 145.78 8.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.47 115.94 31.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.903 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 22.5 mtpp . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.559 -0.734 . . . . 0.0 109.763 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.548 ' H9A' ' C ' ' A' ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.574 0.226 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 mt -93.76 122.2 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.79 0.329 . . . . 0.0 110.292 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 mt -116.43 135.75 55.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.816 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 m -110.41 115.63 29.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.746 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.413 HG13 ' CZ ' ' A' ' 47' ' ' ARG . 27.8 m -120.75 145.37 27.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.01 0.433 . . . . 0.0 111.338 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.3 t -102.13 140.85 35.86 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.0 mt -117.77 129.89 55.96 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.919 0.39 . . . . 0.0 111.742 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -80.22 112.75 17.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.025 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mmm -98.39 15.77 23.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.985 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -83.71 -56.5 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -85.24 -19.9 30.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.31 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -99.41 145.98 26.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.561 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -113.15 -6.11 13.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.919 0.39 . . . . 0.0 110.38 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -156.27 161.99 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.131 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD23 HD13 ' A' ' 84' ' ' ILE . 60.1 mt -87.14 -35.1 18.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.346 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.415 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 72.67 53.28 8.54 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.769 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.505 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 1.1 pt -154.67 104.99 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.973 0.387 . . . . 0.0 110.707 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.8 p -74.53 127.82 34.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.264 0.554 . . . . 0.0 110.649 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.7 mm -83.58 130.03 36.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.27 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.0 t -121.33 117.03 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.735 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.14 129.45 9.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.566 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -80.48 112.84 18.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.955 0.407 . . . . 0.0 110.126 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -98.81 151.65 20.58 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.171 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -163.57 -162.4 0.72 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -61.74 -48.97 78.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.641 0.258 . . . . 0.0 110.739 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -80.46 -50.97 9.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.789 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.54 13.78 25.3 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.827 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -100.25 26.9 6.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.99 0.424 . . . . 0.0 110.482 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.0 -43.16 97.08 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.35 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.23 166.16 28.85 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.245 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.0 pt -98.05 134.84 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.187 0.518 . . . . 0.0 111.383 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -124.55 161.44 26.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.501 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.1 mm -78.28 119.25 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.953 178.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.46 -80.59 1.12 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.627 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.3 m -124.2 146.8 48.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.979 0.418 . . . . 0.0 111.397 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.4 mt -102.24 143.85 14.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.214 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.3 mmt -112.07 131.98 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -62.62 134.52 56.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.569 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.77 -7.93 63.37 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.106 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.68 160.62 49.07 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.358 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.46 73.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.796 0.332 . . . . 0.0 111.363 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.5 t -71.15 -39.65 73.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 120.932 0.396 . . . . 0.0 110.769 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.3 69.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.276 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.2 -18.8 60.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -92.13 -64.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.973 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.9 -14.17 61.74 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.642 -0.79 . . . . 0.0 114.521 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' CZ ' HG13 ' A' ' 5' ' ' VAL . 45.7 mtm180 -72.45 -25.83 61.6 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 117.852 0.826 . . . . 0.0 111.75 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.6 mt -94.86 134.43 32.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -137.87 166.81 23.4 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.911 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.75 137.15 77.55 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.303 2.002 . . . . 0.0 111.897 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.57 -15.03 61.54 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.787 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -67.07 141.29 57.54 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.3 ttt -95.02 123.76 38.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.459 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 mt -86.93 112.94 22.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.8 mt -94.87 -61.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.89 0.376 . . . . 0.0 111.685 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -124.52 139.8 53.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.83 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.0 t -133.17 100.71 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.661 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 m120 62.29 67.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.382 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 73.47 -54.22 0.69 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.133 0.973 . . . . 0.0 113.314 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.5 m -63.01 119.34 6.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.55 0.691 . . . . 0.0 111.256 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -93.9 138.01 32.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.03 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -110.01 9.28 24.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.629 0.252 . . . . 0.0 111.464 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.56 -27.98 69.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.973 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -118.63 27.76 8.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.0 110.606 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 92.3 mtp -118.46 161.25 20.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.362 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.97 151.9 41.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.135 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -52.55 -49.63 64.5 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.357 0.411 . . . . 0.0 111.681 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.56 -49.6 76.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.654 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -38.9 88.49 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.224 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.22 -46.61 85.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.096 0.474 . . . . 0.0 110.185 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.7 t -66.38 -38.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.464 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 72' ' ' ARG . 62.9 mtt180 -58.12 -51.6 69.02 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.264 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.98 -42.38 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.47 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.8 tp -58.3 -41.27 84.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.064 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -58.58 -42.98 89.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.189 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -61.96 -39.38 91.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.42 -44.02 63.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.768 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.1 t -63.82 -33.48 62.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.332 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 m -88.14 8.11 28.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.309 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.24 160.16 16.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.939 0.399 . . . . 0.0 110.606 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 m -89.11 132.26 34.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.06 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.7 160.08 8.77 Favored Glycine 0 N--CA 1.452 -0.269 0 N-CA-C 111.911 -0.475 . . . . 0.0 111.911 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.5 138.78 67.0 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.989 2.459 . . . . 0.0 112.331 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.43 HD13 HD23 ' A' ' 15' ' ' LEU . 20.2 mt -105.77 128.15 60.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.5 m -103.11 110.97 23.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.184 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.0 mt -102.78 129.11 49.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.062 0.458 . . . . 0.0 111.331 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.15 101.25 8.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.9 m -106.36 147.78 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.286 0.565 . . . . 0.0 112.222 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.14 110.87 21.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.478 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.246 -179.343 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.546 ' C19' ' H17' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.3 t30 . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.6 mt -97.6 125.63 50.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.89 0.376 . . . . 0.0 110.454 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.7 mt -123.89 131.9 72.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.136 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -106.79 117.02 32.96 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.2 m -114.22 145.84 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.763 0.316 . . . . 0.0 111.423 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 t -107.55 128.42 54.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.0 mt -108.04 155.7 20.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.115 0.483 . . . . 0.0 111.564 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -99.88 113.17 25.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.619 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 98.8 mmm -95.96 20.53 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.585 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -99.06 -58.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -72.66 -28.83 62.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.252 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -105.75 155.35 19.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.613 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -117.19 -30.65 5.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.622 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -126.87 154.68 44.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.008 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.1 mt -78.78 -35.19 44.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.77 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.43 50.37 9.97 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.395 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.573 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 2.3 pt -152.65 107.16 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -71.17 137.36 48.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.347 0.594 . . . . 0.0 110.959 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.54 ' H ' ' H19' ' A' ' 91' ' ' SUZ . 6.6 mm -94.07 119.52 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.081 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.5 t -114.07 116.52 52.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.96 137.18 13.74 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.437 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -95.85 114.61 26.35 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -123.02 104.37 9.18 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.994 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -102.7 -151.27 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -62.52 -43.21 99.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.01 0.433 . . . . 0.0 110.442 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -70.37 -61.42 1.78 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.306 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.38 -37.83 2.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.53 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -81.06 68.51 7.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.366 0.603 . . . . 0.0 110.95 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.04 -24.25 25.37 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.328 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.2 172.09 36.9 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.613 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 pt -112.51 132.76 60.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.038 0.447 . . . . 0.0 110.594 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -121.29 155.93 33.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.621 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.6 mm -72.71 124.54 29.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.131 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.75 -82.88 1.02 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.147 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.57 145.84 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.57 0.224 . . . . 0.0 110.72 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.9 mt -100.04 128.55 51.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.035 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.0 mmt -98.28 127.31 44.15 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.598 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -64.28 139.36 58.76 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.567 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.4 -9.99 61.13 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.366 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.02 168.69 47.31 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.337 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.18 -37.68 86.2 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.1 t -73.79 -33.53 37.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.877 0.37 . . . . 0.0 110.936 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.57 -19.92 65.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.393 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.97 -16.22 30.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.892 0.377 . . . . 0.0 110.986 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.46 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 10.1 t70 -89.82 -64.92 1.07 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.013 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.84 -15.37 63.2 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.562 -0.828 . . . . 0.0 114.347 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' HB2' ' OD1' ' A' ' 45' ' ' ASP . 67.0 mtm180 -69.52 -24.29 63.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.857 0.829 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 54.8 mt -96.93 137.88 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -138.65 161.71 57.05 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.557 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.96 124.45 16.31 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.329 2.019 . . . . 0.0 111.547 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.04 -19.84 17.52 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.661 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -64.29 133.46 52.76 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.8 ttt -91.1 131.72 36.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.299 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.9 mt -83.85 121.92 28.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.931 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.3 mt -107.17 -68.15 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.167 0.508 . . . . 0.0 110.731 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -111.66 123.23 49.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.822 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 60' ' ' VAL . 77.7 t -117.16 106.39 20.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.987 0.422 . . . . 0.0 110.67 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 84' ' ' ILE . 2.1 t30 55.61 60.66 3.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.464 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.6 t0 78.5 -36.96 0.2 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 57' ' ' VAL . 7.5 m -79.4 141.64 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.239 0.543 . . . . 0.0 111.014 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -102.85 139.74 38.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.263 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -116.63 4.31 13.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.399 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -56.24 -35.03 66.92 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -107.8 20.04 19.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 93.5 mtp -116.11 164.22 14.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.0 p -75.67 158.92 31.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.549 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -59.81 -41.19 90.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.11 0.481 . . . . 0.0 110.247 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.0 -51.64 67.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.999 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -65.63 -36.9 85.04 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.555 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.43 -48.15 77.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.916 0.389 . . . . 0.0 110.328 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.652 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 93.2 t -67.64 -39.15 81.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.417 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -55.16 -48.82 73.2 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.586 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 36.6 t -68.29 -40.5 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 0.0 110.216 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.7 tp -58.63 -39.71 81.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.554 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.652 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 41.3 mtp85 -56.56 -45.29 81.37 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.418 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 73.6 mm-40 -66.01 -40.53 91.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.158 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.23 -42.73 88.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.072 0.463 . . . . 0.0 110.808 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.1 t -67.6 -35.08 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.307 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.2 m -91.56 19.36 6.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.413 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 1.5 tp-100 -118.25 147.26 43.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.37 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.01 125.45 28.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.324 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.03 156.33 6.74 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.59 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.33 143.75 48.97 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.416 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 69.8 mt -118.18 127.2 75.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.552 -178.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 51.0 m -102.93 123.62 46.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.504 178.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.8 mt -107.95 129.08 55.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.958 0.408 . . . . 0.0 111.679 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -108.11 103.71 12.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.159 178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 m -108.0 150.41 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.32 0.581 . . . . 0.0 112.415 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.6 109.33 20.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.163 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.358 -0.829 . . . . 0.0 109.832 -179.818 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.573 ' H9A' ' C ' ' A' ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 66.4 t30 . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.8 mt -95.92 122.83 47.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.984 0.421 . . . . 0.0 110.588 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.7 mt -120.14 128.32 75.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.04 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -107.41 124.07 49.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.112 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 m -118.72 145.28 24.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.076 0.465 . . . . 0.0 111.737 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.21 115.76 30.72 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.6 mt -99.21 145.6 27.07 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.565 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -96.73 119.66 35.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.424 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.6 mmm -99.94 13.59 33.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.951 0.405 . . . . 0.0 111.397 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -83.89 -51.17 7.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -86.08 -30.46 22.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.55 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -97.03 144.86 26.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.231 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -108.6 -13.61 14.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.441 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -146.54 162.06 39.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.189 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.6 mt -84.02 -36.99 22.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.167 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.435 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 74.43 53.81 6.5 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.995 -0.548 . . . . 0.0 113.036 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.533 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 1.3 pt -157.85 107.91 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 122.494 0.317 . . . . 0.0 110.559 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.1 p -75.46 130.34 38.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.153 0.501 . . . . 0.0 110.302 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.1 mm -83.81 130.22 36.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.434 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.5 t -121.61 114.49 43.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.934 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.74 132.87 11.42 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.946 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.408 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 9.4 tt0 -85.43 116.13 23.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.819 0.342 . . . . 0.0 110.232 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.2 m -98.25 164.64 12.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.09 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -172.94 -175.25 1.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.53 -24.13 66.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.304 0.573 . . . . 0.0 109.718 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -84.87 -76.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.626 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.57 -31.75 2.55 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.839 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -80.37 53.18 1.75 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.391 0.615 . . . . 0.0 111.436 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -77.52 -33.6 42.74 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.173 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.98 174.45 39.41 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.074 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 pt -111.74 131.35 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.112 0.482 . . . . 0.0 111.524 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -117.82 165.82 13.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.448 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.62 118.67 32.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.739 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -79.4 -76.94 0.94 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.652 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 m -132.07 143.8 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.523 -0.398 . . . . 0.0 110.97 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.2 mt -91.48 141.6 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.383 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 17.9 mmt -106.7 122.52 46.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.137 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -59.62 120.93 10.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.751 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.14 -6.67 28.88 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.248 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.42 166.28 45.56 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.573 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.9 -37.44 79.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.683 0.277 . . . . 0.0 111.673 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.409 ' CG1' ' HB ' ' A' ' 48' ' ' ILE . 98.6 t -72.15 -34.92 51.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.022 0.439 . . . . 0.0 110.82 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.42 -23.6 67.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.6 -23.0 40.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.354 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.4 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 13.7 t70 -81.39 -65.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.81 -17.75 54.04 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.37 -0.919 . . . . 0.0 114.491 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.4 ' HB2' ' OD1' ' A' ' 45' ' ' ASP . 65.3 mtm180 -76.23 -21.46 56.36 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.021 0.91 . . . . 0.0 111.882 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.409 ' HB ' ' CG1' ' A' ' 42' ' ' VAL . 32.7 mt -96.13 133.44 37.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.764 0.316 . . . . 0.0 110.151 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -142.82 165.21 27.73 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.17 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -53.3 126.39 21.49 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.359 2.039 . . . . 0.0 111.759 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.05 -20.36 16.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.328 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' CG ' ' HZ2' ' A' ' 90' ' ' LYS . 95.3 m-20 -68.28 136.81 54.05 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.1 ttt -97.98 130.35 44.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.756 0.312 . . . . 0.0 111.581 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.7 mt -82.61 108.69 16.19 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 49.4 mt -94.22 -51.88 4.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.007 0.432 . . . . 0.0 111.397 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -131.56 138.74 49.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.983 -178.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.653 ' O ' HG23 ' A' ' 60' ' ' VAL . 98.8 t -134.84 109.51 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.8 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m120 55.8 56.87 5.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.558 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 73.35 -14.74 0.6 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 57' ' ' VAL . 2.3 m -88.61 138.0 20.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 121.66 -0.65 . . . . 0.0 110.332 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -100.33 132.16 45.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.761 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -105.65 -3.98 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.393 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -65.02 -17.22 64.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.953 0.406 . . . . 0.0 111.683 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -117.1 18.85 14.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.966 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.5 mtp -123.38 155.86 36.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.759 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -68.72 157.84 35.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.538 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -56.44 -45.96 80.54 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.939 0.399 . . . . 0.0 110.626 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.41 -44.26 91.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.764 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.46 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 4.2 m-20 -62.37 -40.34 96.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.159 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.22 88.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.567 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.49 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 86.9 t -65.81 -41.44 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.409 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.46 ' HD2' ' HA ' ' A' ' 69' ' ' ASP . 91.3 mtt180 -55.99 -49.59 73.21 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.237 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.55 -41.96 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.9 tp -57.39 -43.63 83.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.659 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 24.1 mtp180 -57.88 -35.79 71.49 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.439 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 64.0 mm-40 -65.88 -37.55 86.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.0 mt -77.07 -41.11 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.5 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.8 t -65.16 -31.87 55.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.2 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.6 m -97.2 25.69 5.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.111 0.482 . . . . 0.0 111.188 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 2.3 tp-100 -124.83 151.39 45.3 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.77 118.39 27.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.915 0.388 . . . . 0.0 110.839 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.22 171.11 23.72 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.739 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.99 135.96 28.67 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.698 2.265 . . . . 0.0 112.253 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 72.8 mt -114.27 122.48 68.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.155 0.502 . . . . 0.0 110.69 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -114.73 120.16 39.14 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.612 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 mt -106.69 129.96 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.391 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -107.74 100.03 9.45 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 20.1 m -105.08 154.02 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.159 0.504 . . . . 0.0 111.777 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.02 120.86 42.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.496 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 23.6 mtpp . . . . . 0 C--O 1.253 1.247 0 CA-C-O 118.338 -0.839 . . . . 0.0 109.5 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.551 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.7 mt -99.57 130.72 48.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.869 0.366 . . . . 0.0 111.132 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 mt -124.49 129.02 73.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.584 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -109.27 118.15 35.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.998 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -117.41 143.49 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.812 0.339 . . . . 0.0 111.372 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 t -109.55 113.62 26.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.1 mt -94.52 137.63 33.41 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -84.04 112.38 20.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.506 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.0 mmm -96.92 20.05 11.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.248 0.547 . . . . 0.0 110.853 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -85.07 -49.82 7.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.532 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -88.66 -30.51 19.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.374 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -93.96 149.51 21.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.735 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -112.92 -10.36 13.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.06 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -151.14 162.05 41.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.816 0.341 . . . . 0.0 110.618 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -83.2 -39.29 21.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.408 ' O ' HG23 ' A' ' 17' ' ' ILE . . . 76.5 53.44 5.51 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.433 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.506 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 1.8 pt -155.21 106.68 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 116.636 0.218 . . . . 0.0 110.691 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.8 p -73.67 118.61 16.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.498 0.666 . . . . 0.0 110.374 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.0 mm -75.29 131.92 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.137 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.5 t -114.16 124.35 70.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.054 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.37 113.78 4.64 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.925 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.403 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.0 tt0 -76.15 115.12 15.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.11 0.481 . . . . 0.0 110.401 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.2 m -112.88 142.11 45.93 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.578 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -143.37 -160.74 1.15 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.151 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.06 -44.66 88.24 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.97 0.169 . . . . 0.0 111.113 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -72.79 -66.0 0.72 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.062 0.458 . . . . 0.0 110.054 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.46 -42.79 1.01 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.519 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -74.08 92.7 2.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.335 0.588 . . . . 0.0 110.591 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -114.0 -29.73 2.73 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.842 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.55 162.22 36.94 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.611 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.5 pt -101.13 128.97 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.135 0.493 . . . . 0.0 110.398 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 44.3 m-85 -117.74 162.4 18.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.235 -178.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.4 mm -82.05 121.08 34.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.742 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.32 -88.37 1.33 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.966 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.3 m -113.99 131.34 56.37 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.045 0.45 . . . . 0.0 111.634 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.409 HG12 HG21 ' A' ' 17' ' ' ILE . 47.2 mt -91.86 135.3 27.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.485 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 20.0 mmt -104.46 131.51 51.76 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.962 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -67.77 131.1 44.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.671 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.92 -9.78 34.26 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.33 164.98 36.96 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.706 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.16 73.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.56 0.219 . . . . 0.0 111.409 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.8 t -73.39 -39.28 54.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.681 0.276 . . . . 0.0 111.012 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.99 73.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.196 0.522 . . . . 0.0 110.246 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.73 -16.73 58.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.751 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -82.49 -65.55 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.12 -7.94 69.73 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.578 -0.82 . . . . 0.0 114.949 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -85.82 -26.08 25.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.272 1.036 . . . . 0.0 111.522 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.8 mt -92.52 137.59 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -138.95 162.84 50.31 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.613 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.21 129.7 36.21 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.549 2.166 . . . . 0.0 112.118 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.88 -20.28 22.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.656 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -72.8 143.29 47.95 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.553 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 25.0 ttt -100.04 139.83 35.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.741 0.305 . . . . 0.0 111.501 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.3 125.36 34.63 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.6 mt -103.6 -66.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.146 0.498 . . . . 0.0 111.021 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -121.62 137.37 54.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.632 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.1 t -133.97 101.06 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.083 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 4.7 m-20 64.18 58.89 1.1 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 28.7 m-20 77.91 -45.91 0.44 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.941 -1.027 . . . . 0.0 113.4 178.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 m -67.94 130.12 32.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.49 0.662 . . . . 0.0 110.951 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -98.44 133.62 42.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.538 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -107.19 -2.85 20.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.284 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.74 -41.2 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.111 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -108.31 30.0 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.042 0.448 . . . . 0.0 111.393 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.5 mtp -118.07 162.89 17.45 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.256 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.29 147.28 40.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.066 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -51.29 -47.47 62.53 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.019 0.438 . . . . 0.0 111.13 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.46 -51.32 70.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.367 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.429 ' O ' HG21 ' A' ' 73' ' ' VAL . 10.5 m-20 -65.31 -37.93 88.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.756 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.78 86.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.963 0.411 . . . . 0.0 110.296 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.6 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 78.0 t -65.71 -41.02 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.333 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -57.53 -50.86 71.7 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.702 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 69' ' ' ASP . 44.7 t -61.84 -41.32 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.749 0.309 . . . . 0.0 110.276 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.64 -39.4 84.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.149 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.6 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 59.7 mtp85 -58.64 -44.4 90.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -61.63 -45.08 95.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.654 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.17 -43.71 84.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.085 0.469 . . . . 0.0 110.716 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.3 t -63.24 -30.29 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.59 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.5 m -89.56 -1.46 58.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.875 0.369 . . . . 0.0 110.819 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.16 164.71 11.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.606 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.82 144.21 25.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.19 161.33 10.68 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.193 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -69.54 135.84 32.01 Favored 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 122.354 2.036 . . . . 0.0 111.985 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -107.72 121.55 60.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.788 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -100.27 119.42 38.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.76 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.8 mt -105.85 129.94 53.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.657 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.24 103.32 11.46 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.6 m -107.49 151.32 9.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.286 0.565 . . . . 0.0 112.409 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -106.57 110.86 23.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.48 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.282 -0.865 . . . . 0.0 110.734 -179.026 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.54 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.818 0.342 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.434 ' HA ' ' O ' ' A' ' 88' ' ' VAL . 7.5 mt -89.54 119.41 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.873 0.368 . . . . 0.0 110.96 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.7 mt -113.46 124.24 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.865 0.364 . . . . 0.0 110.411 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.2 m -96.91 113.77 25.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.841 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.5 m -122.52 143.1 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.997 0.427 . . . . 0.0 111.507 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -106.67 142.08 36.9 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.2 mt -117.05 142.57 46.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.156 0.503 . . . . 0.0 111.599 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -87.56 115.83 25.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.348 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 95.9 mmm -100.06 15.15 28.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.967 0.413 . . . . 0.0 111.437 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -86.94 -50.19 6.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.349 0.595 . . . . 0.0 109.635 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -87.79 -19.0 28.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.232 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -108.82 136.92 47.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.357 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -99.34 -10.37 22.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -152.07 167.66 27.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.695 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.7 mt -88.32 -39.09 14.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.51 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.425 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 77.4 47.3 9.1 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.541 -179.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.539 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 2.7 pt -148.9 106.75 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 116.801 0.3 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.6 p -73.43 130.24 39.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.393 0.616 . . . . 0.0 110.85 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 mm -87.67 129.71 38.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.732 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.1 t -119.1 116.25 50.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.001 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.58 131.95 10.74 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.929 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -87.98 102.88 15.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.063 0.458 . . . . 0.0 110.203 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -98.02 148.62 23.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.21 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -165.38 -167.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.72 -40.71 69.52 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.631 0.253 . . . . 0.0 110.963 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -81.41 -65.58 0.99 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.82 -26.11 6.29 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.222 -0.99 . . . . 0.0 113.714 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -85.28 44.11 1.07 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.156 0.503 . . . . 0.0 111.421 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.76 -32.51 81.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.626 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.69 168.58 27.52 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.334 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.4 pt -102.8 130.23 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.158 0.504 . . . . 0.0 111.057 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -118.54 157.26 27.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.304 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.6 mm -78.08 118.92 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.23 -68.43 1.44 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.693 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 p -137.27 144.06 42.51 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.43 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -102.64 134.73 42.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.1 mmt -108.74 135.04 50.62 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.972 0.415 . . . . 0.0 110.674 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -66.36 135.57 54.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.31 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.85 -14.3 37.92 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.433 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.96 164.73 41.05 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.382 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.3 78.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.705 0.288 . . . . 0.0 111.625 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -70.99 -35.31 58.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.824 0.345 . . . . 0.0 110.825 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.99 -22.95 66.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.503 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.92 -14.49 56.06 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.789 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -88.62 -73.29 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.1 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.08 -20.5 28.53 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.931 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -72.44 -31.11 65.2 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 117.391 0.596 . . . . 0.0 111.876 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.7 mt -86.39 137.56 20.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -141.42 162.1 49.08 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.169 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.13 129.92 37.46 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.043 1.829 . . . . 0.0 111.062 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.71 -13.85 32.35 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.426 -178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.471 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 86.3 m-20 -69.89 134.89 48.92 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.7 ttt -96.79 130.39 44.06 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.692 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.9 mt -87.95 125.54 34.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.1 mt -103.04 -71.24 0.73 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.125 0.488 . . . . 0.0 111.097 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -112.16 131.02 55.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.546 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 60' ' ' VAL . 78.0 t -122.8 103.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.596 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.6 m120 55.33 70.89 0.58 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.614 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 76.57 -50.51 0.58 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.901 0.881 . . . . 0.0 113.01 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -68.67 127.15 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.032 0.444 . . . . 0.0 111.95 -178.681 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -99.4 129.36 45.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.697 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -102.42 14.81 30.97 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -69.99 -14.94 62.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.637 0.256 . . . . 0.0 111.623 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -120.76 17.72 11.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.92 0.391 . . . . 0.0 110.84 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.421 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 76.7 mtp -122.97 149.55 44.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.006 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m -71.51 160.34 32.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.711 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -52.24 -44.24 64.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.246 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.34 -46.9 79.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.151 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.421 ' HB3' ' HE2' ' A' ' 65' ' ' MET . 4.3 m-20 -72.79 -37.46 67.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.554 -178.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.24 -47.07 79.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.197 0.522 . . . . 0.0 110.599 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 85.6 t -69.47 -35.34 66.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.512 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -55.88 -55.18 35.62 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.801 0.334 . . . . 0.0 110.941 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.64 -41.55 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.504 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.08 -43.69 91.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.065 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 44.6 mtp85 -59.46 -37.01 77.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.798 0.333 . . . . 0.0 110.882 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -70.27 -40.27 74.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.6 mt -69.5 -41.63 80.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.167 0.508 . . . . 0.0 110.077 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.1 t -62.69 -32.05 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.617 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.6 m -91.22 18.57 6.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 111.274 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.23 160.66 18.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.847 0.356 . . . . 0.0 110.171 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.58 98.36 8.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.39 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 178.64 169.47 39.39 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.862 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.89 126.73 15.74 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.679 2.252 . . . . 0.0 111.961 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 84.0 mt -103.99 129.36 56.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.567 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 m -124.86 125.95 44.79 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.0 mt -115.83 145.55 42.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.468 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 24.5 p -113.96 105.32 13.1 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 2' ' ' ILE . 10.6 m -96.06 127.35 48.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.301 0.572 . . . . 0.0 112.079 -178.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -93.7 94.99 8.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.91 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.471 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 19.9 mtpp . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.328 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.542 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.5 t30 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.94 0.4 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 63.1 mt -97.02 115.32 36.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.218 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.7 mt -114.72 137.78 47.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.906 0.384 . . . . 0.0 110.656 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -114.14 112.88 23.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.551 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 m -113.14 143.07 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.87 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -107.45 123.57 48.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.1 mt -93.29 142.26 27.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.4 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -91.9 112.23 24.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.1 mmm -95.12 13.13 26.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.491 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -86.52 -48.09 8.68 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -91.44 -9.99 42.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.623 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -115.97 155.3 28.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.832 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -120.95 -11.57 8.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.336 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -147.9 160.68 42.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.194 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 mt -87.8 -33.5 18.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.982 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.14 52.47 11.09 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.474 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.526 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 1.1 pt -154.3 107.04 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 116.714 0.257 . . . . 0.0 110.638 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.5 p -74.14 123.69 24.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.367 0.603 . . . . 0.0 110.942 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.1 mm -81.81 123.88 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.094 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.4 t -116.24 115.8 50.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.295 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.73 132.45 11.16 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.816 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.411 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 9.1 tt0 -91.57 115.12 27.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.651 0.263 . . . . 0.0 110.693 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.55 162.56 12.85 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -163.84 -152.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -51.44 43.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.76 0.314 . . . . 0.0 110.506 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -77.04 -61.67 1.9 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.108 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.5 -25.33 3.62 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.367 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -77.46 68.14 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.5 0.667 . . . . 0.0 111.378 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -93.48 -35.29 6.27 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.155 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.29 161.96 34.08 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.412 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 pt -97.65 134.58 35.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.974 0.416 . . . . 0.0 110.995 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.496 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 59.5 m-85 -121.31 156.69 32.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.161 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.9 mm -74.52 112.95 12.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.04 -69.78 1.37 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.014 -0.612 . . . . 0.0 113.068 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.73 143.43 39.05 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.777 0.322 . . . . 0.0 111.52 -179.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -94.15 132.38 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.794 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 17.0 mmt -105.79 123.88 48.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.988 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -61.39 128.81 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.561 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.59 -15.81 19.5 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.13 166.01 43.9 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.414 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.95 -34.87 75.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.2 t -71.33 -32.93 48.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.54 -19.62 65.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.982 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.74 -11.27 54.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.247 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -96.9 -81.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.272 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.3 -13.02 16.27 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.201 -1.0 . . . . 0.0 114.23 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -73.7 -24.28 59.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.748 0.774 . . . . 0.0 111.023 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.1 mt -95.86 139.92 18.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.091 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -144.44 164.33 29.12 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.365 -0.38 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.85 121.91 10.89 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.368 2.046 . . . . 0.0 111.219 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.55 -19.94 9.64 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.672 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 99.9 m-20 -67.52 135.64 53.32 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.496 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 25.7 ttt -95.07 134.08 38.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.635 0.255 . . . . 0.0 110.791 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.2 mt -89.01 119.69 29.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.417 HD11 ' HB3' ' A' ' 89' ' ' ALA . 40.1 mt -100.44 -70.18 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.132 0.491 . . . . 0.0 110.512 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -114.49 132.09 56.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.83 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.5 t -124.92 91.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 64.49 75.74 0.37 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.882 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 72.67 -51.27 0.71 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.102 -0.954 . . . . 0.0 113.387 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 m -69.93 130.12 34.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.123 0.487 . . . . 0.0 111.709 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -107.07 138.14 43.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.887 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -111.19 10.13 21.83 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -55.99 -37.09 68.63 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -110.4 19.62 18.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.791 0.329 . . . . 0.0 111.263 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 94.0 mtp -113.43 153.88 27.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.806 0.336 . . . . 0.0 110.531 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.03 152.81 39.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.769 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -54.06 -46.34 71.92 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.097 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -62.05 -47.22 85.7 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.749 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -60.84 -38.28 84.95 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.784 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.03 83.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.271 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.4 t -68.82 -37.36 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.62 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -55.58 -56.18 23.36 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.648 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.5 -39.46 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.283 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.2 tp -57.47 -44.54 84.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.684 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -58.72 -37.58 76.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.386 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -67.12 -39.92 86.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.944 0.402 . . . . 0.0 110.569 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.3 mt -70.97 -41.97 77.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.46 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.24 -31.16 52.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.537 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.8 m -91.6 19.19 6.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.545 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -115.64 157.3 24.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.12 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.99 122.04 38.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.961 0.41 . . . . 0.0 111.201 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.74 179.72 26.73 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.165 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.64 121.2 5.44 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.118 2.545 . . . . 0.0 111.917 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.3 mt -101.94 118.91 49.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.693 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.2 m -100.45 129.88 46.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.627 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.5 mt -111.37 124.34 52.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.23 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.4 m -105.44 100.77 10.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.1 m -101.54 149.27 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -177.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.417 ' HB3' HD11 ' A' ' 55' ' ' LEU . . . -112.34 107.68 16.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.412 178.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.412 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 22.8 mtpp . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.232 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.568 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.3 mt -94.88 119.82 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.873 0.368 . . . . 0.0 110.729 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 87.5 mt -118.54 134.34 62.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m -105.12 97.3 7.17 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.0 m -89.02 150.32 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.914 0.387 . . . . 0.0 111.449 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 t -108.74 126.38 52.95 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.2 mt -108.46 130.07 55.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.998 0.428 . . . . 0.0 110.909 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -93.46 116.05 28.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.947 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.6 mmm -98.41 14.08 29.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.083 0.468 . . . . 0.0 111.057 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -80.97 -39.61 25.73 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -110.95 17.99 19.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.092 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -139.71 145.32 38.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -107.96 -23.88 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.872 0.368 . . . . 0.0 110.665 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -140.83 164.92 28.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.545 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.4 mt -84.77 -38.67 19.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.97 49.16 6.55 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.682 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.545 ' C ' ' H9A' ' A' ' 91' ' ' SUZ . 1.1 pt -152.84 104.95 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.77 0.285 . . . . 0.0 110.903 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.9 p -72.8 121.58 20.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.311 0.577 . . . . 0.0 110.354 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.4 mm -79.23 130.15 36.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.965 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.3 t -119.06 120.73 64.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.22 115.88 4.58 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.135 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.49 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 8.7 tt0 -75.76 116.47 16.51 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.8 m -112.78 154.1 26.76 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.189 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -158.55 -169.1 2.62 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.28 -39.07 89.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.887 0.375 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -68.85 -50.1 52.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.449 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.4 -43.57 1.65 Allowed Glycine 0 C--O 1.237 0.334 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.525 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.56 87.75 5.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.54 0.686 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.49 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -105.65 -34.52 3.28 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.206 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.29 159.94 24.22 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.358 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 pt -99.1 127.09 52.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.123 0.487 . . . . 0.0 110.566 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 61.8 m-85 -118.69 155.3 31.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.007 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 mm -77.71 116.29 20.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.021 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.0 -78.13 1.02 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.006 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.33 138.74 54.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.951 0.405 . . . . 0.0 111.879 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.7 mt -97.78 136.88 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.339 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.0 mmt -111.46 132.85 54.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.895 0.379 . . . . 0.0 110.79 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -67.55 126.35 29.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.275 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.49 -14.2 13.3 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.553 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.43 167.28 40.87 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.227 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.49 74.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.775 0.321 . . . . 0.0 111.187 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.4 t -69.53 -34.45 61.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.24 -22.01 66.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.718 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.71 -13.5 45.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.429 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 14.2 t70 -88.95 -68.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.085 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.08 -18.66 54.18 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 120.801 -0.714 . . . . 0.0 114.551 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' HB2' ' OD1' ' A' ' 45' ' ' ASP . 80.0 mtm180 -75.36 -26.71 58.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 117.807 0.803 . . . . 0.0 111.384 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.437 HG22 HD12 ' A' ' 48' ' ' ILE . 64.4 mt -85.34 134.26 27.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -135.45 162.81 55.07 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.306 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.96 125.88 19.97 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.234 1.956 . . . . 0.0 111.159 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.39 -13.98 30.52 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.132 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -65.75 137.34 57.2 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.453 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 28.6 ttt -97.41 130.54 44.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.688 0.28 . . . . 0.0 111.286 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.28 115.38 26.72 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.8 mt -100.44 -47.27 4.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.126 0.488 . . . . 0.0 110.914 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -127.36 138.14 52.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.767 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.578 ' O ' HG21 ' A' ' 60' ' ' VAL . 80.8 t -136.58 109.12 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 3.7 m-20 54.91 59.81 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.216 0.322 . . . . 0.0 111.696 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 44.1 m-20 76.82 -45.51 0.49 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.578 HG21 ' O ' ' A' ' 57' ' ' VAL . 17.9 m -67.78 140.46 19.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.367 0.603 . . . . 0.0 111.547 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -98.73 138.5 35.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.744 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -112.57 1.91 16.01 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -64.03 -31.24 72.36 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.704 0.287 . . . . 0.0 110.919 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -105.16 31.83 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.068 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 72.2 mtp -135.13 159.37 41.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.3 p -74.83 159.34 32.05 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -55.71 -42.89 75.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.257 0.551 . . . . 0.0 110.089 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.0 -51.17 67.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.418 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 73' ' ' VAL . 8.6 m-20 -63.7 -36.2 83.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.48 77.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.054 0.454 . . . . 0.0 110.161 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.503 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 86.4 t -67.34 -36.43 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.313 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -56.64 -48.03 78.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.409 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 69' ' ' ASP . 28.3 t -69.32 -41.81 81.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.982 0.42 . . . . 0.0 110.062 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.3 tp -56.24 -42.04 76.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.948 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 31.6 mtp85 -58.37 -43.14 88.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.279 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -64.92 -37.94 89.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.69 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.61 -42.64 71.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.403 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.2 t -64.33 -39.58 86.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.386 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.6 m -78.12 -4.43 47.38 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.659 0.266 . . . . 0.0 111.686 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.42 155.02 17.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.722 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.79 168.51 19.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.964 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.16 -179.72 26.02 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.127 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.34 157.13 14.67 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.78 2.32 . . . . 0.0 112.12 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.5 mt -126.59 120.94 57.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.9 m -105.22 118.2 35.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.6 mt -107.44 133.73 51.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.012 0.434 . . . . 0.0 111.511 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 m -109.09 99.86 9.11 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.4 m -99.79 142.72 14.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.082 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.23 107.76 18.86 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.725 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.263 -179.546 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SUZ . . . . . 0.561 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.953 0.406 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.4 mt -85.31 125.92 40.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.45 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.0 mt -128.55 133.78 65.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.647 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.93 120.87 42.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.024 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 85' ' ' SER . 19.6 m -113.84 139.46 39.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.771 0.319 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 m -106.58 107.64 18.75 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.478 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 58.1 mt -86.28 137.52 32.54 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.546 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -86.56 114.32 23.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.692 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mmm -97.4 13.81 28.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.488 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -85.76 -48.42 8.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.408 0.623 . . . . 0.0 109.39 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -91.68 -24.82 19.38 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.48 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -101.34 141.1 34.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.216 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -103.04 -28.73 11.81 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -132.94 156.12 47.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.201 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.3 mt -80.91 -36.93 30.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . 75.82 49.19 9.08 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.651 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pt -148.46 104.0 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 116.955 0.378 . . . . 0.0 110.82 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.0 p -73.23 118.62 16.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.401 0.619 . . . . 0.0 110.713 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.5 mm -76.89 128.32 37.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.28 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.05 117.31 54.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.31 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.6 129.92 9.69 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.865 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -88.4 115.66 26.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.843 0.354 . . . . 0.0 110.581 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.96 140.7 37.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.92 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -150.27 -166.05 2.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.781 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.51 -44.36 97.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.559 0.218 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -75.49 -67.72 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.91 -22.49 4.04 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.168 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -83.25 55.84 3.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.412 0.625 . . . . 0.0 110.829 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.62 -25.22 54.31 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.156 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.06 165.93 39.8 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.959 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.8 pt -103.85 132.46 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.035 0.445 . . . . 0.0 110.522 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 56.1 m-85 -121.11 161.69 21.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.111 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.1 mm -81.99 117.71 28.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.984 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.92 -75.28 0.96 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.612 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.8 m -135.5 149.95 49.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.823 0.344 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 71.8 mt -100.14 128.95 51.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.046 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.7 mmt -94.55 123.21 37.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.259 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.27 125.62 24.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.79 -6.28 24.09 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.569 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.33 169.08 34.19 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.465 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.478 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -62.96 -34.63 77.92 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.77 -37.37 73.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.834 0.349 . . . . 0.0 111.0 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.81 -15.76 63.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.266 0.555 . . . . 0.0 110.56 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.99 -12.73 43.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.619 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -95.18 -74.14 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.962 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.82 -23.49 17.01 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.932 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -68.01 -33.28 74.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.404 0.602 . . . . 0.0 111.179 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.8 mt -85.36 135.91 23.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -141.06 161.16 55.04 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.089 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.79 120.3 6.88 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.459 2.106 . . . . 0.0 112.055 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.47 -7.95 22.49 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.611 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 85.3 m-20 -72.95 141.77 47.8 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.498 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 27.6 ttt -98.77 134.53 41.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.907 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.4 mt -89.29 120.6 30.79 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.806 HD11 ' HB2' ' A' ' 89' ' ' ALA . 23.6 mt -103.92 -64.77 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.167 0.508 . . . . 0.0 111.111 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 8.2 tt0 -120.9 134.89 55.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.462 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.69 ' O ' HG22 ' A' ' 60' ' ' VAL . 65.7 t -128.8 100.13 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 8.3 m120 58.86 60.44 2.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.383 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 14.3 m-20 77.39 -38.3 0.28 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.306 -0.861 . . . . 0.0 113.226 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 57' ' ' VAL . 2.3 m -66.58 142.12 17.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.143 0.497 . . . . 0.0 110.812 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -109.86 131.96 54.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -110.84 0.48 17.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.649 0.261 . . . . 0.0 111.282 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -61.9 -32.16 72.51 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -117.16 33.12 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.347 0.594 . . . . 0.0 110.606 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.2 mtp -121.64 160.68 23.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.55 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.05 149.94 47.14 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -53.08 -51.28 62.36 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.126 0.489 . . . . 0.0 110.802 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 1.3 m-20 -63.69 -42.53 97.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.913 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -63.99 -35.49 80.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.091 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.29 97.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.78 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.7 t -67.64 -34.99 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.213 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 78.2 mtt180 -58.71 -54.59 45.31 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.123 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.47 -38.32 81.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.513 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.413 ' O ' HG23 ' A' ' 78' ' ' VAL . 46.5 tp -59.3 -42.9 92.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.433 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -60.48 -35.17 75.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.212 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.31 -34.28 77.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.927 0.394 . . . . 0.0 110.629 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.5 mt -79.65 -43.25 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.194 0.521 . . . . 0.0 110.18 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 74' ' ' LEU . 69.2 t -64.42 -28.97 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.389 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 m -99.04 28.46 4.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.979 0.419 . . . . 0.0 110.581 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -124.27 -179.1 4.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.171 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.93 140.49 39.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.788 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.12 169.2 12.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.665 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.56 131.07 19.39 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.004 2.469 . . . . 0.0 111.951 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.6 mt -102.16 116.63 46.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.195 0.521 . . . . 0.0 110.614 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 67.6 m -103.71 116.28 32.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.435 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.472 HD23 HG13 ' A' ' 57' ' ' VAL . 96.4 mt -105.19 124.06 48.9 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.939 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -101.75 104.48 15.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.7 m -102.77 151.05 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.806 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -108.32 107.46 18.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.474 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.496 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 25.4 mtpp . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.541 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 40.8 t30 . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.81 0.338 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.5 mt -88.74 122.9 40.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.568 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 mt -119.48 131.56 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.973 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 m -108.17 110.87 22.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.752 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.646 HG21 HD11 ' A' ' 48' ' ' ILE . 11.6 m -106.82 142.18 20.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.177 0.513 . . . . 0.0 111.883 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 t -109.64 113.19 25.76 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.486 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 58.6 mt -98.34 142.64 29.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.415 0.626 . . . . 0.0 112.233 -177.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -90.65 112.89 24.81 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.472 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.5 mmm -99.35 25.04 7.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -92.13 -55.1 3.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -87.59 -0.56 57.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.318 0.58 . . . . 0.0 109.867 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -119.56 158.44 26.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.681 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -121.63 -15.32 8.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.679 0.276 . . . . 0.0 110.986 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -145.73 159.19 43.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.16 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.2 mt -83.24 -37.51 23.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.765 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.04 48.62 7.53 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.384 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.417 HG22 HG12 ' A' ' 36' ' ' ILE . 1.6 pt -144.18 101.61 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 116.636 0.218 . . . . 0.0 111.028 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -71.08 116.4 11.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.372 0.606 . . . . 0.0 110.23 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.7 mm -73.76 137.88 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.007 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.69 117.26 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.968 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.98 120.05 5.38 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.746 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -87.33 112.91 22.57 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m -113.18 147.74 36.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.586 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -151.4 -171.12 3.85 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.53 -29.88 64.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.98 0.419 . . . . 0.0 110.586 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -83.58 -57.76 3.1 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.86 -34.19 4.59 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.438 -0.887 . . . . 0.0 113.246 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.35 58.61 2.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.13 0.49 . . . . 0.0 111.676 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.54 -39.02 11.23 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.197 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.22 165.87 26.69 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.403 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 pt -101.14 128.6 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.967 0.413 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 58.1 m-85 -118.32 160.01 22.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.176 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.4 mm -81.52 116.78 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.691 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.47 -74.94 1.17 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.097 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.02 146.95 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.008 0.432 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.417 HG12 HG22 ' A' ' 17' ' ' ILE . 21.1 mt -107.77 135.56 46.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.381 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.3 mmt -101.49 128.98 47.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.755 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -64.58 133.78 53.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.549 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.07 -12.02 57.35 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.457 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.07 165.89 51.2 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.681 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.04 -34.98 74.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.578 0.227 . . . . 0.0 111.414 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.7 t -71.26 -40.74 74.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.11 0.481 . . . . 0.0 110.773 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.0 -10.78 53.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.977 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.21 -12.68 43.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.603 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -93.71 -69.03 0.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 110.18 -25.7 15.43 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.329 -0.938 . . . . 0.0 113.706 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -70.08 -31.21 68.68 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 117.238 0.519 . . . . 0.0 111.529 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.646 HD11 HG21 ' A' ' 5' ' ' VAL . 64.8 mt -83.19 135.08 25.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -144.7 160.07 48.69 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -49.85 126.77 17.42 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.615 2.21 . . . . 0.0 111.948 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.66 -16.72 26.06 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.055 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -68.17 139.53 56.11 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.495 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 28.2 ttt -100.25 128.9 46.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.671 0.272 . . . . 0.0 110.972 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.5 mt -85.52 110.51 19.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.105 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.574 HD11 ' HB2' ' A' ' 89' ' ' ALA . 58.0 mt -90.62 -65.23 1.03 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.289 0.566 . . . . 0.0 110.573 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -119.76 134.07 55.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.791 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.544 HG13 HD23 ' A' ' 86' ' ' LEU . 59.2 t -128.11 102.15 8.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.92 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 63.32 64.62 0.82 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.757 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 76.46 -48.04 0.55 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.992 0.917 . . . . 0.0 113.25 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 m -70.64 123.65 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.386 0.612 . . . . 0.0 111.415 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -95.58 126.47 40.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.239 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -99.11 11.46 38.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.75 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.82 -28.48 69.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.704 0.287 . . . . 0.0 111.269 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -110.93 19.28 18.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.067 0.461 . . . . 0.0 111.204 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 97.8 mtp -120.46 159.14 25.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.623 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.3 m -72.79 160.62 31.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -56.37 -48.11 77.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.719 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 1.1 m-20 -60.83 -47.27 87.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.493 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.91 -38.62 82.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.058 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.8 79.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.428 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.448 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 92.5 t -63.81 -35.34 72.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 65.5 mtt85 -58.16 -58.23 9.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.29 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.3 t -65.26 -33.44 63.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.043 0.449 . . . . 0.0 110.185 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.77 -41.28 90.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.013 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 1.1 mtt85 -62.95 -36.77 84.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 30.8 mm-40 -64.38 -35.38 80.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.038 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.6 mt -81.05 -44.0 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.357 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.1 t -63.18 -33.22 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.606 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -95.08 17.98 13.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.82 0.343 . . . . 0.0 110.755 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 4.8 tp-100 -114.79 164.08 14.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.739 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.08 132.77 41.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 139.06 -174.16 22.28 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.696 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -83.65 141.9 10.04 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.701 2.268 . . . . 0.0 112.176 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.5 mt -120.45 121.43 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.066 0.46 . . . . 0.0 111.092 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 60.7 m -104.13 126.56 51.34 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.115 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.544 HD23 HG13 ' A' ' 57' ' ' VAL . 87.9 mt -111.93 119.59 39.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.706 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.1 m -99.5 99.6 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.8 m -99.44 145.51 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.406 0.622 . . . . 0.0 112.481 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -107.17 107.09 17.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.813 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.295 -179.508 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 50.7 t30 . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.905 0.383 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 54.7 mt -90.89 123.27 42.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.877 0.37 . . . . 0.0 111.184 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.3 mt -126.01 129.58 72.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.939 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.7 m -100.98 119.24 38.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.5 m -107.47 137.44 38.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.637 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.4 t -107.91 118.58 37.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.512 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 15.4 mt -108.43 150.98 26.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.43 0.529 . . . . 0.0 112.43 -177.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -92.88 126.46 37.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.758 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.3 mmm -109.22 21.14 17.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.991 0.424 . . . . 0.0 111.028 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -84.91 -54.81 4.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.103 0.477 . . . . 0.0 109.851 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -89.96 -16.85 29.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.23 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -100.18 135.13 42.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.3 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -101.22 -20.13 15.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.711 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -142.08 156.88 45.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.887 0.375 . . . . 0.0 110.766 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.1 mt -82.67 -34.81 27.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.42 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . 74.09 54.86 6.07 Favored Glycine 0 C--O 1.223 -0.586 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.398 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -151.31 103.09 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 116.892 0.346 . . . . 0.0 110.857 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.7 p -73.64 120.14 18.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.569 0.7 . . . . 0.0 110.658 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 mm -77.81 125.72 37.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.528 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.2 t -116.49 117.5 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.981 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.72 129.18 9.64 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.991 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.493 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 49.2 tt0 -97.0 121.74 39.22 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -129.57 150.34 50.94 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.102 0.477 . . . . 0.0 110.623 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -142.05 -147.1 0.2 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -60.41 -46.11 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.961 0.41 . . . . 0.0 110.028 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -74.47 -77.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.243 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.51 -22.09 2.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.827 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -79.34 50.06 1.05 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.095 0.474 . . . . 0.0 111.729 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.493 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -75.98 -37.13 39.19 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.676 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.48 159.18 27.95 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.513 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.5 pt -99.4 127.2 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.082 0.468 . . . . 0.0 110.372 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.462 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 86.0 m-85 -114.27 160.78 18.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.052 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.4 mm -81.78 117.15 27.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.569 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.57 -95.73 0.22 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.309 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.7 m -117.03 144.3 44.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.801 0.334 . . . . 0.0 110.759 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 74.7 mt -97.82 129.1 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.455 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 36.9 mmt -91.69 133.48 35.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.27 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -63.3 131.16 47.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.79 -9.99 57.13 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.692 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.79 161.87 42.53 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.226 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.512 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -59.39 -32.49 70.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.64 0.257 . . . . 0.0 111.661 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.2 t -74.55 -36.38 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.559 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.92 -21.82 65.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.286 0.565 . . . . 0.0 110.5 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.11 -10.06 53.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.775 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -93.06 -71.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.61 -20.44 32.04 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.542 -0.837 . . . . 0.0 114.243 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -71.12 -32.53 69.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 117.621 0.711 . . . . 0.0 111.323 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.7 mt -85.8 138.05 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -138.88 162.26 53.62 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.586 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.73 114.66 2.05 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.384 2.056 . . . . 0.0 111.588 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.46 -14.83 8.68 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.382 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -69.49 143.31 53.53 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.462 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.1 ttt -99.85 136.38 39.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.55 0.214 . . . . 0.0 111.282 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.4 mt -87.25 120.78 28.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.745 HD11 ' HB2' ' A' ' 89' ' ' ALA . 57.2 mt -102.25 -52.26 3.18 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.227 0.537 . . . . 0.0 111.001 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -134.8 139.35 45.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.555 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.5 t -133.62 101.2 3.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 61.64 67.83 0.74 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.934 0.397 . . . . 0.0 111.613 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 72.57 -46.01 0.64 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.2 m -68.79 135.71 27.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.346 0.594 . . . . 0.0 111.628 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -96.78 129.12 44.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.462 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -100.42 -5.68 26.78 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -59.79 -37.74 79.94 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.842 0.354 . . . . 0.0 110.95 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -102.57 37.62 1.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 76.6 mtp -139.8 149.7 43.83 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.97 154.27 31.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.403 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -55.56 -46.27 77.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.668 0.27 . . . . 0.0 111.162 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -64.54 -45.33 87.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.242 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 22.4 m-20 -62.43 -40.14 95.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.78 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.43 90.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.076 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.615 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 77.9 t -66.23 -43.58 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.801 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 69' ' ' ASP . 91.1 mtt180 -51.4 -54.62 24.8 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.224 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.56 -37.21 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.04 -44.62 94.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.806 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 13.0 mtp180 -58.0 -39.88 79.37 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.666 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -63.45 -40.34 96.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.994 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.1 mt -73.23 -45.9 51.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.134 0.493 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.0 t -61.37 -28.98 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.531 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.3 m -91.82 -0.73 57.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.327 . . . . 0.0 111.286 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.75 156.27 17.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.429 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.3 m -84.78 136.98 33.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.991 0.424 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.26 158.86 8.24 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.451 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.74 138.91 72.01 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.77 2.313 . . . . 0.0 111.443 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.4 mt -117.03 126.01 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.962 0.411 . . . . 0.0 111.22 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.0 m -108.61 127.02 53.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.76 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.8 mt -111.59 121.37 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.946 0.403 . . . . 0.0 111.459 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.8 m -96.06 100.43 12.09 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 26.0 m -102.84 145.85 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.423 0.63 . . . . 0.0 112.157 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.745 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -105.95 105.97 16.26 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.729 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.522 -0.751 . . . . 0.0 110.365 -179.594 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 mt -94.2 133.45 35.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.435 HD12 ' HD3' ' A' ' 90' ' ' LYS . 58.7 mt -127.32 128.38 70.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.72 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.7 m -107.0 115.61 30.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.2 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.7 m -112.58 153.48 14.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.973 0.416 . . . . 0.0 110.998 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -112.88 136.51 52.45 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.497 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 83.7 mt -113.53 141.12 47.53 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.03 0.443 . . . . 0.0 110.876 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -91.9 113.04 25.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.292 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.3 mmm -92.36 9.67 33.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.203 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -86.48 -51.62 6.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.371 0.605 . . . . 0.0 109.684 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -86.28 -21.98 27.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.691 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -110.88 155.45 22.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.734 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -116.36 -28.52 6.48 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.038 0.447 . . . . 0.0 110.495 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -130.71 153.06 49.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.57 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.401 HD21 HD12 ' A' ' 84' ' ' ILE . 29.7 mt -78.07 -36.68 47.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.379 -178.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.87 49.87 7.4 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.52 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -149.24 104.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.6 p -76.7 114.11 15.09 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.527 0.679 . . . . 0.0 111.001 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mm -73.25 133.41 31.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.402 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.2 t -125.74 110.14 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.92 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 31' ' ' ILE . . . -78.99 125.78 7.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.279 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.5 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 62.7 tt0 -81.16 113.77 19.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.746 0.308 . . . . 0.0 110.226 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -97.61 151.45 20.07 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -152.04 -175.63 5.32 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.56 -32.54 67.22 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.099 0.475 . . . . 0.0 110.27 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -88.1 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.33 -21.41 4.08 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.043 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -82.81 54.23 2.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.421 0.629 . . . . 0.0 111.547 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.5 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -78.45 -37.72 26.79 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.59 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.73 156.26 28.39 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.326 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.4 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . 5.5 pt -92.02 129.57 42.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.241 0.543 . . . . 0.0 111.16 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -116.85 166.01 12.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.086 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.7 mm -87.4 117.18 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.484 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.31 -77.62 1.1 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.902 -0.665 . . . . 0.0 113.08 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m -126.05 149.91 48.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.705 0.288 . . . . 0.0 111.454 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.0 mt -105.12 130.78 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.943 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.2 mmt -96.24 130.4 43.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.604 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -69.31 125.41 26.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.923 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.52 -5.85 31.48 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.44 167.78 39.48 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.904 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.497 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -61.71 -38.19 86.98 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.8 t -69.74 -35.02 63.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.014 0.435 . . . . 0.0 111.004 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.69 -15.29 61.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.452 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.22 -0.23 55.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.794 0.331 . . . . 0.0 111.403 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -102.15 -70.6 0.75 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.146 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.4 -26.05 15.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.844 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -65.23 -38.4 90.26 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 117.157 0.478 . . . . 0.0 111.754 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.4 mt -85.69 139.5 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.603 0.239 . . . . 0.0 110.373 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -147.02 162.25 33.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.138 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.31 116.49 3.1 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.5 2.133 . . . . 0.0 111.929 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 126.46 -18.31 6.44 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.263 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.475 ' CG ' ' HZ2' ' A' ' 90' ' ' LYS . 85.3 m-20 -71.69 146.54 48.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.7 ttt -104.83 136.26 44.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.426 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 mt -87.52 126.04 34.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.706 0.289 . . . . 0.0 110.482 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.698 HD11 ' HB2' ' A' ' 89' ' ' ALA . 29.6 mt -107.74 -54.63 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -128.72 139.94 51.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.05 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.2 t -133.87 109.29 12.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.816 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.493 ' OD1' ' HA ' ' A' ' 84' ' ' ILE . 3.2 m120 50.82 60.83 3.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.08 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 74.36 -18.68 0.4 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.914 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.7 t -84.69 123.49 39.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.904 0.383 . . . . 0.0 111.233 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -91.77 122.57 34.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.396 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -101.77 -1.96 31.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.789 0.328 . . . . 0.0 111.403 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -62.66 -22.59 66.57 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -119.04 28.06 8.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.93 0.395 . . . . 0.0 110.922 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.3 mtp -124.07 160.24 28.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.434 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.27 153.62 42.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.504 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -54.59 -48.33 72.27 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.02 -49.81 75.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.832 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -60.16 -39.43 86.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.387 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.32 -49.73 75.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.531 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.17 -35.35 73.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.69 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -60.06 -52.41 65.47 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.841 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.74 -38.05 81.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.14 0.495 . . . . 0.0 110.082 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.4 -40.33 86.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.255 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -57.0 -42.06 79.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.037 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 29.9 mm-40 -64.71 -37.08 86.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.352 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -76.11 -43.03 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.14 0.495 . . . . 0.0 110.536 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.39 -34.5 64.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.442 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 m -96.65 21.51 9.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.917 0.389 . . . . 0.0 110.765 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 2.8 tp-100 -115.69 168.91 9.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.309 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.59 151.36 20.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.298 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.55 159.51 12.14 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.826 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.58 125.7 13.7 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.822 2.348 . . . . 0.0 112.144 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.493 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 78.8 mt -92.92 131.26 40.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.138 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.7 m -114.03 124.36 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.97 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.5 mt -114.66 126.33 54.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.127 0.489 . . . . 0.0 111.766 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -105.31 102.5 11.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.33 154.22 7.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.263 0.554 . . . . 0.0 112.341 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.698 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -109.76 121.4 45.14 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.34 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.475 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 26.7 mtpp . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.357 -0.83 . . . . 0.0 109.826 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.7 t30 . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.811 0.338 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.4 mt -90.44 126.23 43.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.365 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.3 mt -125.53 130.02 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.02 0.438 . . . . 0.0 110.78 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.25 116.67 33.13 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.904 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 m -116.02 150.84 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.918 0.389 . . . . 0.0 111.033 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -114.09 131.06 56.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.465 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 58.6 mt -112.27 133.74 54.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.984 0.421 . . . . 0.0 111.516 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -88.03 109.42 19.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.361 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.0 mmm -93.32 18.62 9.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.508 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -91.19 -43.4 9.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -94.08 -17.32 22.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.328 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -115.12 141.42 48.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.008 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -108.04 -15.5 14.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.865 0.364 . . . . 0.0 111.374 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -138.93 157.5 45.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.999 0.428 . . . . 0.0 110.211 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.407 HD21 HD12 ' A' ' 84' ' ' ILE . 74.8 mt -87.42 -32.26 19.62 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.242 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.97 54.34 14.68 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.309 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -153.65 102.68 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.684 0.242 . . . . 0.0 110.795 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.5 p -74.53 127.97 34.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.42 0.628 . . . . 0.0 110.36 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.7 mm -81.67 128.58 38.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.996 -178.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -116.7 116.03 50.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.329 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.36 132.51 11.31 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.789 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -89.95 99.1 12.18 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.6 m -108.95 103.72 12.81 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.563 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -100.45 -139.57 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.518 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -76.24 -44.44 37.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.0 0.429 . . . . 0.0 110.752 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -73.2 -57.05 4.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.89 -25.27 7.61 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.729 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.63 54.87 3.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.218 0.532 . . . . 0.0 110.784 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.74 -43.48 6.81 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.158 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.52 167.21 21.86 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.085 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.9 pt -107.31 138.78 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.003 0.43 . . . . 0.0 111.038 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -123.09 158.01 31.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.352 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.6 mm -72.55 115.73 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 50' ' ' PRO . . . -79.46 -85.04 0.59 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.959 -0.638 . . . . 0.0 113.08 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -120.39 137.3 54.38 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 122.604 -0.351 . . . . 0.0 111.126 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.1 mt -95.87 134.24 34.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.562 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.8 mmt -102.54 127.03 49.78 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -62.25 117.82 6.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.19 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.62 -16.03 8.47 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.453 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.19 163.45 50.57 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.9 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -59.93 -34.65 73.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.748 0.308 . . . . 0.0 111.479 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.19 -34.75 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.949 0.404 . . . . 0.0 110.531 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.26 -6.74 47.93 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.63 -25.21 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -77.76 -73.07 0.33 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.977 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.07 -3.96 27.06 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.506 -0.854 . . . . 0.0 114.108 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -93.36 -28.8 15.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 117.626 0.713 . . . . 0.0 111.906 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.4 mt -88.18 137.38 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -140.64 161.98 51.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.309 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.46 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 40.4 Cg_exo -57.46 106.91 0.26 Allowed 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.467 2.111 . . . . 0.0 112.062 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.02 -19.87 3.65 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.592 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -67.39 138.06 56.42 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.419 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 28.3 ttt -91.08 137.23 32.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.643 0.259 . . . . 0.0 111.237 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 54' ' ' LEU . 8.5 mt -90.06 115.15 27.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.929 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.76 HD11 ' HB2' ' A' ' 89' ' ' ALA . 15.5 mt -97.52 -78.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.169 0.509 . . . . 0.0 110.628 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -110.19 134.49 52.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.809 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.2 t -129.01 98.69 4.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.843 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 6.9 m120 62.6 71.13 0.53 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.48 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 58.3 m-20 74.12 -52.35 0.69 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.221 -0.9 . . . . 0.0 113.14 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.1 m -68.61 130.29 33.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.31 0.576 . . . . 0.0 111.327 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -105.75 132.02 52.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.441 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -99.87 6.31 45.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.762 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -54.86 -35.76 64.36 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 111.609 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -119.2 56.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.3 0.572 . . . . 0.0 110.483 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 39.2 mtp -146.58 166.06 27.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.958 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 77.6 p -73.83 156.85 37.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.692 0.282 . . . . 0.0 110.332 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -62.16 -30.58 71.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.195 0.521 . . . . 0.0 110.09 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -50.3 17.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.846 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -61.43 -34.57 75.62 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.488 0.185 . . . . 0.0 111.076 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.26 -46.74 82.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.195 0.521 . . . . 0.0 110.41 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.6 t -70.94 -36.27 63.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.272 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -57.23 -49.75 75.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.547 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.39 -38.49 81.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.866 0.365 . . . . 0.0 110.111 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.56 -41.8 95.31 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.326 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -57.72 -40.47 79.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.064 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -65.34 -45.85 82.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.5 mt -67.26 -40.72 85.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.18 -32.05 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.289 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 m -86.24 0.67 53.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.501 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.68 178.08 4.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.917 0.389 . . . . 0.0 110.979 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.4 p -108.02 135.58 49.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.5 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.86 -178.88 27.06 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.754 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -81.48 128.03 6.0 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.806 2.337 . . . . 0.0 111.568 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.407 HD12 HD21 ' A' ' 15' ' ' LEU . 25.0 mt -99.29 120.49 48.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.018 0.437 . . . . 0.0 110.683 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -111.73 117.21 32.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.757 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.9 mt -108.01 129.02 55.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.964 0.412 . . . . 0.0 111.963 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.7 95.33 5.58 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.5 m -99.34 148.47 6.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.512 0.672 . . . . 0.0 112.278 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.76 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -109.86 112.46 24.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.004 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.823 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 . . . . . 0 N--CA 1.483 1.218 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.0 mt -100.03 118.97 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.584 0.231 . . . . 0.0 110.707 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.8 mt -111.51 132.76 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.009 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m -100.68 111.85 24.16 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 48' ' ' ILE . 7.1 m -115.73 146.78 19.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.062 0.458 . . . . 0.0 111.683 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.1 t -119.65 134.9 55.04 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.532 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 24.0 mt -118.31 156.74 28.35 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.053 0.454 . . . . 0.0 111.797 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 27.4 t-20 -93.14 120.12 33.1 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.474 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mmm -101.01 10.53 40.98 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.304 0.378 . . . . 0.0 111.56 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -83.04 -57.75 3.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -80.04 -32.4 39.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.18 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.455 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 32.2 m80 -92.95 142.06 27.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.216 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -106.92 -12.4 15.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.599 0.238 . . . . 0.0 111.196 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -149.09 159.61 44.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.385 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.0 mt -80.56 -39.23 28.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.026 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.93 48.14 7.98 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.84 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pt -150.57 103.05 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.681 0.24 . . . . 0.0 110.355 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.6 p -71.11 123.38 22.0 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.42 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.1 mm -82.34 127.68 39.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.435 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.8 t -116.85 118.61 59.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.732 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.22 121.33 5.59 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.213 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.411 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 48.8 tt0 -83.19 127.13 33.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.849 0.356 . . . . 0.0 110.586 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.8 m -138.4 163.14 32.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -156.22 -92.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.454 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -122.47 -36.53 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.042 0.448 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 -78.97 -56.57 4.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.71 -37.72 2.35 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.282 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -79.34 75.85 5.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.636 0.731 . . . . 0.0 111.395 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -98.29 -42.12 3.06 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.201 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.63 163.16 23.36 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.045 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.6 pt -99.76 127.93 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.946 0.403 . . . . 0.0 110.7 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 59.3 m-85 -117.24 160.23 21.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.99 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.9 mm -80.08 120.79 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.142 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.77 -81.14 0.89 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.54 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.2 m -130.18 142.99 50.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.784 0.326 . . . . 0.0 111.013 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.1 mt -94.38 131.02 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.893 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.5 mmt -97.6 125.19 42.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.427 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -64.86 120.84 13.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.112 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.96 -11.02 13.5 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.35 168.69 46.65 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.27 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -62.17 -34.92 77.33 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.68 -31.96 39.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.055 0.455 . . . . 0.0 110.796 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.94 -8.82 40.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.2 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.88 -3.71 29.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.833 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -95.85 -70.29 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.862 0.363 . . . . 0.0 110.121 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.26 -23.76 27.92 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.251 -0.976 . . . . 0.0 113.987 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -74.03 -32.56 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.707 0.754 . . . . 0.0 111.315 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.406 HD11 HG21 ' A' ' 5' ' ' VAL . 54.4 mt -82.31 131.16 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -133.27 161.01 66.36 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.347 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.35 126.33 20.49 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.06 1.84 . . . . 0.0 110.788 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.23 -16.57 22.31 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.956 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -66.83 144.08 56.5 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.467 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.3 ttt -99.6 133.4 43.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.635 0.255 . . . . 0.0 111.046 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.0 mt -89.74 124.7 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.587 HD11 ' HB2' ' A' ' 89' ' ' ALA . 44.9 mt -102.81 -67.75 0.86 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.005 0.431 . . . . 0.0 111.063 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -123.55 138.3 54.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.87 102.67 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.204 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 8.6 m120 63.42 66.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.74 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 39.9 m-20 74.91 -44.36 0.54 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.07 125.99 32.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.475 0.655 . . . . 0.0 111.342 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -96.34 136.51 36.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.449 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -111.38 3.52 18.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -58.57 -33.21 69.69 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.799 0.333 . . . . 0.0 111.16 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -115.8 43.22 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.033 0.444 . . . . 0.0 110.786 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 61.2 mtp -137.36 162.33 33.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.272 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.35 150.27 47.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.31 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -58.42 -47.07 85.14 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.842 0.353 . . . . 0.0 110.739 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.23 -49.8 74.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.487 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -59.15 -40.25 84.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.072 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.31 -48.19 81.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.352 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.491 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 79.7 t -64.52 -37.76 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.206 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -59.04 -48.41 81.71 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.017 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 69' ' ' ASP . 39.0 t -64.05 -42.15 94.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.188 0.518 . . . . 0.0 109.872 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.2 tp -58.44 -40.55 82.87 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.301 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 32.7 mtp85 -57.82 -41.79 82.98 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.001 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -65.32 -42.84 92.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.6 mt -69.28 -43.73 81.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.18 -35.02 72.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.54 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.4 m -83.44 3.75 30.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.928 0.394 . . . . 0.0 111.01 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -109.07 156.28 19.97 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.9 m -95.19 123.13 38.52 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.869 0.366 . . . . 0.0 110.68 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.61 178.48 41.35 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -78.01 93.42 1.09 Allowed 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.492 2.128 . . . . 0.0 111.692 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 55.2 mt -71.92 119.96 19.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.565 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -122.36 125.87 46.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.24 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.58 151.66 46.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.91 0.386 . . . . 0.0 111.375 -178.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.7 p -114.56 113.49 24.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.426 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.4 m -101.03 129.59 51.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.166 0.508 . . . . 0.0 111.669 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.587 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -96.64 104.86 16.88 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.297 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.16 -0.924 . . . . 0.0 109.6 -179.529 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 42.9 t30 . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.897 0.38 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.8 mt -89.28 121.6 39.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.073 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.9 mt -118.77 132.74 67.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.088 0.47 . . . . 0.0 111.013 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -103.94 111.82 24.53 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 m -107.94 144.64 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.014 0.435 . . . . 0.0 111.471 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -104.35 136.46 43.9 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -121.42 133.78 55.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.954 0.407 . . . . 0.0 111.134 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -91.19 116.31 28.71 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.685 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.9 mmm -96.06 10.03 38.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.173 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -80.95 -37.37 29.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.24 0.543 . . . . 0.0 109.889 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -110.37 14.01 22.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.149 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -138.91 135.06 34.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.434 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -96.52 -28.29 14.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -137.51 164.8 27.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.902 0.382 . . . . 0.0 111.152 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -88.18 -35.63 17.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.8 51.58 7.0 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.784 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.418 HG22 HG12 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -154.38 104.22 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 116.738 0.269 . . . . 0.0 110.351 -179.846 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.1 p -71.64 132.84 45.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.282 0.563 . . . . 0.0 110.76 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 mm -88.18 122.97 40.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.265 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.6 t -116.67 109.22 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.818 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 31' ' ' ILE . . . -81.93 134.01 12.63 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.364 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -83.52 107.93 16.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.27 0.557 . . . . 0.0 110.255 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.16 137.42 40.46 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.844 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -151.28 -169.76 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -36.26 77.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.966 0.413 . . . . 0.0 110.616 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -76.45 -65.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.327 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.32 -33.31 3.68 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.276 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -82.54 54.05 2.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.295 0.569 . . . . 0.0 111.449 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.39 -39.54 25.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.852 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.31 161.43 29.3 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.053 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.449 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . 9.7 pt -98.24 132.14 43.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.143 0.496 . . . . 0.0 111.326 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -118.83 156.46 29.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.731 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.2 mm -75.61 119.34 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.165 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.71 -86.0 1.01 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.205 -0.521 . . . . 0.0 113.189 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -116.49 136.83 52.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.739 0.304 . . . . 0.0 111.449 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.418 HG12 HG22 ' A' ' 17' ' ' ILE . 66.2 mt -94.68 139.22 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.858 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.5 mmt -113.15 124.97 53.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.674 0.273 . . . . 0.0 110.569 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -60.79 130.68 47.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.022 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.49 -15.55 24.64 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.825 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.03 165.05 43.08 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.655 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.63 76.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.747 0.308 . . . . 0.0 111.657 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.6 t -71.82 -37.25 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 110.546 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.78 -17.1 63.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.26 0.552 . . . . 0.0 110.315 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.45 -2.9 55.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.154 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -100.96 -72.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.856 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.44 -21.36 21.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.478 -0.868 . . . . 0.0 114.715 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -71.02 -25.87 62.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.604 0.702 . . . . 0.0 111.584 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mt -93.95 134.22 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -133.02 162.44 57.64 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.93 102.61 0.21 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.675 2.25 . . . . 0.0 111.75 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.16 -21.13 2.98 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.78 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HB3' ' HB ' ' A' ' 88' ' ' VAL . 91.3 m-20 -62.65 140.32 58.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.828 0.347 . . . . 0.0 110.224 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.3 ttt -98.13 133.34 42.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.668 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.4 mt -86.52 122.54 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.281 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' A' ' 89' ' ' ALA . 84.2 mt -102.35 -71.58 0.72 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.97 0.414 . . . . 0.0 110.779 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.74 136.97 53.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.54 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.8 t -130.54 103.31 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.336 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 5.6 m-20 58.87 68.44 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.317 0.386 . . . . 0.0 111.882 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 20.7 m-20 76.33 -52.57 0.6 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.614 0.766 . . . . 0.0 112.856 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.0 m -67.84 130.11 32.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.499 0.666 . . . . 0.0 111.678 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -100.68 133.71 44.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.54 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -105.16 5.81 32.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.814 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -58.63 -36.75 74.58 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -111.93 33.22 4.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.592 0.234 . . . . 0.0 111.452 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 79.9 mtp -122.42 158.28 30.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.852 0.358 . . . . 0.0 110.814 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.08 151.38 46.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.614 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -52.37 -42.98 64.42 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 4.1 m-20 -68.6 -49.02 62.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.026 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -58.54 -42.08 87.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.379 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.24 -43.46 78.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.099 0.476 . . . . 0.0 110.604 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.1 t -71.01 -39.67 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.478 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 80.8 mtt180 -58.86 -49.61 77.09 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.314 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 49.7 t -64.08 -40.88 90.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.169 0.509 . . . . 0.0 110.024 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.09 -41.35 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.155 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -57.64 -37.41 73.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.085 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -66.65 -45.44 78.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.871 0.367 . . . . 0.0 110.555 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.4 mt -67.83 -40.53 83.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.212 0.53 . . . . 0.0 110.78 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.07 -33.36 63.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -87.4 9.61 20.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.394 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -101.72 167.33 10.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.35 74.88 0.92 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.927 0.394 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -158.94 169.53 35.23 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.716 -0.553 . . . . 0.0 111.716 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.66 139.47 69.71 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.576 2.184 . . . . 0.0 111.987 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.2 mt -120.69 116.55 50.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.037 0.446 . . . . 0.0 111.005 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.8 m -102.39 122.93 45.25 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.4 mt -107.43 125.54 51.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.911 0.386 . . . . 0.0 111.548 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.1 97.54 7.62 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 52' ' ' ASP . 34.4 m -99.79 144.98 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.348 0.594 . . . . 0.0 112.324 -177.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.42 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -103.66 111.48 23.98 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.48 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.51 -179.524 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 84.9 mt -94.78 114.37 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.723 0.297 . . . . 0.0 110.359 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.7 mt -115.21 132.32 64.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.807 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -108.18 112.68 25.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.909 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.1 m -104.27 135.43 42.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.208 0.528 . . . . 0.0 111.721 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -105.77 120.42 41.66 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.2 mt -102.94 152.44 21.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.417 0.627 . . . . 0.0 112.491 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -100.92 110.22 22.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.81 -1.087 . . . . 0.0 109.552 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 98.9 mmm -94.04 11.16 30.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.452 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -77.2 -56.21 4.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.367 0.604 . . . . 0.0 109.537 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -82.06 -36.49 27.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.637 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -86.25 156.88 20.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -116.82 -31.37 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.332 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -132.55 162.49 31.13 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.029 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.23 -36.01 21.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.974 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.45 51.45 8.39 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.366 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 pt -152.19 105.94 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 116.678 0.239 . . . . 0.0 110.701 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -74.18 129.63 38.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.318 0.58 . . . . 0.0 110.706 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mm -85.58 125.45 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.172 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.9 t -107.65 125.87 64.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.055 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.94 114.29 4.87 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.59 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.471 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 51.1 tt0 -87.04 127.71 35.1 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.522 ' OG ' ' HA2' ' A' ' 27' ' ' GLY . 35.4 t -157.32 131.25 8.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.693 0.282 . . . . 0.0 110.303 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -123.65 -92.87 0.52 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.368 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -101.48 -43.97 5.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.817 0.341 . . . . 0.0 110.516 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.458 ' HB3' ' OD2' ' A' ' 28' ' ' ASP . 16.9 mmt85 -73.88 -56.44 4.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.466 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.522 ' HA2' ' OG ' ' A' ' 23' ' ' SER . . . 113.83 -23.19 13.44 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.272 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.458 ' OD2' ' HB3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -82.02 48.23 1.21 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.913 0.387 . . . . 0.0 111.72 -179.474 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -72.38 -46.49 33.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.387 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.55 171.94 19.2 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.371 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.7 pt -105.66 127.7 60.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.015 0.436 . . . . 0.0 110.6 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 49.3 m-85 -123.01 160.39 26.38 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.862 -178.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.7 mm -80.66 118.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 50' ' ' PRO . . . -87.44 -73.64 1.28 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.872 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 p -124.37 136.99 54.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.03 0.443 . . . . 0.0 111.477 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 mt -97.87 140.93 16.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.72 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.1 mmt -111.32 126.24 54.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.536 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -63.76 132.29 50.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.902 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.75 -14.49 38.19 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.88 162.61 46.92 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.786 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.05 -33.41 68.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.791 0.329 . . . . 0.0 111.71 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.1 t -75.96 -34.65 27.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.31 -17.18 63.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.3 -4.27 58.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.425 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -101.15 -74.01 0.63 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.938 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.69 -23.54 17.21 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.523 -0.846 . . . . 0.0 114.158 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -64.09 -34.82 78.92 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.751 0.776 . . . . 0.0 111.578 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.0 mt -86.66 138.33 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.31 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -136.96 162.0 58.29 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.257 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.471 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 36.4 Cg_exo -61.2 105.0 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.296 1.997 . . . . 0.0 111.699 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.99 -17.47 3.62 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 93.5 m-20 -68.45 141.2 55.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.702 0.287 . . . . 0.0 110.295 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.481 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.2 ttt -99.04 133.72 42.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.789 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.2 mt -87.35 125.85 34.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.901 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.627 HD11 ' HB2' ' A' ' 89' ' ' ALA . 55.3 mt -102.97 -64.02 1.11 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.964 0.411 . . . . 0.0 110.948 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -124.03 139.58 53.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.481 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.481 HG13 HD23 ' A' ' 86' ' ' LEU . 59.3 t -133.46 100.71 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 m120 57.98 75.58 0.37 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.896 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 72.63 -51.76 0.7 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.9 m -71.73 129.35 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.36 0.6 . . . . 0.0 112.32 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -98.44 134.7 41.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.764 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -107.39 1.6 23.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -58.24 -42.22 85.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 111.538 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -103.96 33.85 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.039 0.447 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.8 mtp -125.28 165.18 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.333 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.8 p -76.57 158.31 31.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.202 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -62.73 -35.42 79.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.153 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 1.1 m-20 -70.14 -53.28 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -62.83 -33.18 74.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.149 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.52 -49.02 78.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.995 0.426 . . . . 0.0 110.368 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.458 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 94.8 t -70.32 -34.28 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.355 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 73.5 mtt180 -56.91 -51.88 67.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.66 -39.01 82.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.34 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.77 -41.73 87.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.457 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 31.6 mtp85 -58.99 -38.31 78.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -66.61 -43.19 85.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 110.587 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.2 mt -67.12 -41.11 86.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.104 0.478 . . . . 0.0 110.23 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.6 t -65.26 -31.74 55.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.988 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.6 m -89.46 12.3 16.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -111.15 156.86 20.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.695 0.283 . . . . 0.0 110.312 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.12 93.19 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.945 0.402 . . . . 0.0 111.012 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.89 172.94 45.41 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.024 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.34 116.22 4.52 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.663 2.242 . . . . 0.0 112.524 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.2 mt -92.78 130.1 42.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.686 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 m -120.87 116.92 26.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.037 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.481 HD23 HG13 ' A' ' 57' ' ' VAL . 16.4 mt -106.9 126.28 52.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.497 -178.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.9 m -103.51 110.56 22.65 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.2 m -109.56 157.44 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.627 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -121.35 116.98 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.942 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 20.1 mtpp . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.061 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 61.9 t30 . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.57 0.224 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.4 mt -92.67 118.8 39.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.14 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.401 HG22 HG13 ' A' ' 5' ' ' VAL . 38.0 mt -115.73 126.61 73.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 m -103.96 117.01 33.29 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.948 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.401 HG13 HG22 ' A' ' 3' ' ' ILE . 35.1 m -121.57 139.0 50.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.03 0.443 . . . . 0.0 111.59 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.7 147.42 28.56 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.524 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 14.1 mt -121.22 157.38 30.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.984 0.421 . . . . 0.0 111.436 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -99.52 106.2 18.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.912 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.7 mmm -89.86 18.78 5.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.406 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -95.43 -42.97 8.21 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -93.14 -14.52 27.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.304 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -120.2 153.75 35.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.293 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -111.17 -26.35 9.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.585 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -134.46 160.95 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.696 0.284 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.0 mt -83.38 -37.29 23.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.802 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.05 49.24 8.79 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.512 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pt -149.83 105.36 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.873 0.337 . . . . 0.0 110.715 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.3 p -72.21 133.88 45.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.294 0.568 . . . . 0.0 110.906 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mm -90.7 119.4 37.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.196 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -112.03 113.35 43.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.204 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.4 131.63 10.54 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.963 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -86.77 114.06 23.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.902 0.382 . . . . 0.0 110.38 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.6 164.5 12.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.398 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -174.86 -170.05 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -59.8 -44.16 94.09 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -77.47 -70.09 0.49 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.829 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.16 -11.82 7.24 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.683 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -83.25 39.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.173 0.511 . . . . 0.0 111.059 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.07 -37.45 82.52 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.826 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.2 168.81 33.16 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.221 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 pt -104.76 135.36 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.146 0.498 . . . . 0.0 111.275 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 79.3 m-85 -123.66 158.87 30.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.849 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.8 mm -76.15 112.22 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.75 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.19 -75.19 0.75 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.416 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.4 m -133.69 146.36 50.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.712 0.291 . . . . 0.0 110.924 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -102.07 139.25 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.951 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.6 mmt -109.2 129.95 55.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.321 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -67.97 130.8 44.08 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.05 -13.52 24.04 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.86 167.01 43.56 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.841 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.524 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -62.9 -33.1 74.6 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.5 t -67.72 -30.23 47.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 111.026 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.61 -9.92 58.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.47 -15.93 34.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.976 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -96.83 -76.19 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.33 -21.18 20.1 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.437 -0.887 . . . . 0.0 114.06 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -67.39 -24.61 65.7 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 117.682 0.741 . . . . 0.0 111.488 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.6 mt -88.84 135.15 26.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.4 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -133.51 160.34 69.01 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.153 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -62.19 110.56 1.05 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.321 2.014 . . . . 0.0 110.645 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 130.82 -15.14 5.45 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.834 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -68.62 143.2 54.9 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.402 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 49.9 ttp -97.19 133.58 41.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.653 0.263 . . . . 0.0 110.586 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.6 mt -86.11 117.55 25.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.035 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' A' ' 89' ' ' ALA . 48.7 mt -94.75 -69.3 0.76 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.148 0.499 . . . . 0.0 110.913 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.418 ' H ' ' HB ' ' A' ' 87' ' ' THR . 51.4 tt0 -121.84 137.26 54.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.11 -178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.9 t -127.81 104.09 11.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.885 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 12.0 m120 51.86 74.52 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.298 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 66.2 m-20 75.45 -43.87 0.51 Allowed 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 178.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.427 HG11 HG11 ' A' ' 73' ' ' VAL . 2.7 t -75.52 121.81 28.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.126 0.489 . . . . 0.0 111.599 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -97.58 130.59 44.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.744 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -103.53 4.77 36.22 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -57.84 -31.65 66.86 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -118.08 34.85 4.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.754 0.311 . . . . 0.0 111.018 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 79.3 mtp -125.94 161.17 28.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.433 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 81.1 p -75.41 159.56 31.25 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.94 -36.31 79.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.068 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.26 -49.56 63.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.871 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -65.6 -38.88 90.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.664 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.53 -50.47 69.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.514 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.586 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 60.0 t -67.06 -37.68 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.898 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -55.66 -52.01 65.3 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.644 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.427 HG11 HG11 ' A' ' 60' ' ' VAL . 19.9 t -66.07 -40.74 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.434 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.16 -39.59 82.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.627 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 26.2 mtp180 -59.51 -38.86 82.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.015 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.29 -43.7 73.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.444 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.4 mt -65.93 -43.46 92.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.757 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.3 t -63.42 -35.36 72.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.0 m -87.62 9.93 19.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.928 0.395 . . . . 0.0 110.809 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -104.82 142.54 34.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.417 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.2 120.47 25.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.584 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.26 177.77 31.67 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.245 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -78.11 108.13 2.45 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.737 2.291 . . . . 0.0 112.524 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.7 mt -86.31 131.6 34.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.032 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 m -122.11 126.02 47.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.986 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.2 mt -111.5 135.55 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.003 0.43 . . . . 0.0 111.327 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.418 ' HB ' ' H ' ' A' ' 56' ' ' GLN . 1.8 m -109.38 103.8 12.78 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.4 m -103.81 146.26 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.203 0.525 . . . . 0.0 112.291 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.418 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -107.37 114.14 27.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.581 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.224 -0.894 . . . . 0.0 110.089 -179.57 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 54.1 mt -104.43 128.18 58.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.761 0.315 . . . . 0.0 111.149 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 mt -121.81 126.26 74.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 m -102.02 108.51 19.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 m -112.56 157.4 13.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.917 0.389 . . . . 0.0 111.647 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 t -117.07 140.84 49.0 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.473 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 24.5 mt -115.11 136.16 53.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.99 0.424 . . . . 0.0 111.765 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -86.94 112.18 21.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.472 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.8 mmm -98.5 11.29 38.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.915 0.388 . . . . 0.0 110.996 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.04 -47.65 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.052 0.453 . . . . 0.0 109.813 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -90.72 -15.95 29.35 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -104.5 166.77 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.263 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -124.03 -15.19 6.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.767 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -151.23 166.96 29.29 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.129 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.0 mt -86.29 -38.45 17.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.767 0.318 . . . . 0.0 110.828 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.38 52.65 7.35 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.991 -0.624 . . . . 0.0 112.077 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.424 HG21 HG11 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -154.35 106.99 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 116.867 0.334 . . . . 0.0 110.826 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.0 p -72.72 130.04 39.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.103 0.478 . . . . 0.0 110.457 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.471 HG13 ' CD2' ' A' ' 74' ' ' LEU . 10.3 mm -90.35 124.21 42.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.9 t -111.25 126.56 68.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.354 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.67 120.3 6.62 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.389 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -74.96 105.56 6.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.017 0.437 . . . . 0.0 110.397 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -93.83 148.39 22.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.355 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -163.63 -160.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.45 -48.6 69.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.55 0.214 . . . . 0.0 111.176 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -71.49 -59.9 2.52 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.4 -21.81 9.11 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.422 -0.894 . . . . 0.0 113.316 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -87.64 51.79 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.858 0.837 . . . . 0.0 110.68 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.95 -23.13 69.93 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.998 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.03 166.19 42.1 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.833 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.4 pt -101.94 135.5 38.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.167 0.508 . . . . 0.0 111.116 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -124.01 161.36 25.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.622 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.2 mm -81.53 116.92 26.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.822 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.48 -73.65 0.96 Allowed Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.551 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.9 m -140.67 150.69 43.82 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 122.768 -0.254 . . . . 0.0 110.812 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 49' ' ' GLU . 30.5 mt -98.1 141.79 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.512 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.6 mmt -109.99 119.72 40.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.128 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -56.17 127.28 29.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.255 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.3 -19.29 20.09 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.996 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.93 168.95 54.42 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.799 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -61.55 -35.55 78.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.634 0.254 . . . . 0.0 111.363 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.424 HG11 HG21 ' A' ' 17' ' ' ILE . 74.6 t -74.19 -34.48 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.403 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.88 -28.02 69.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.169 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.88 -21.76 40.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.661 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -77.41 -73.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.609 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.56 -19.45 47.74 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.675 -0.774 . . . . 0.0 114.141 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -73.25 -28.1 61.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.767 0.784 . . . . 0.0 110.32 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.0 mt -91.59 139.24 18.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.538 ' HA ' HD11 ' A' ' 36' ' ' ILE . 10.0 pt-20 -146.58 162.2 35.01 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.815 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.96 117.8 4.27 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.64 2.226 . . . . 0.0 111.846 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.54 -18.15 8.23 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.623 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -68.95 145.3 53.74 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.414 ' O ' ' HA ' ' A' ' 88' ' ' VAL . 27.3 ttt -100.22 137.78 38.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.817 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.2 mt -94.01 122.51 36.58 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 89' ' ' ALA . 51.7 mt -104.05 -74.79 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.014 0.435 . . . . 0.0 110.94 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -110.65 135.73 50.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.444 ' O ' HG22 ' A' ' 60' ' ' VAL . 77.6 t -129.37 97.5 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.01 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.484 ' OD1' ' HA ' ' A' ' 84' ' ' ILE . 5.0 m120 60.17 72.6 0.52 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.768 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 1.4 m-20 72.9 -45.63 0.63 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 57' ' ' VAL . 17.2 m -75.28 135.04 28.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.444 0.64 . . . . 0.0 111.461 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -103.14 138.08 40.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.861 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -111.1 4.36 19.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.746 0.308 . . . . 0.0 111.592 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -58.4 -34.11 70.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.266 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -117.21 36.66 4.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.028 0.442 . . . . 0.0 111.011 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.0 mtp -131.26 153.78 49.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.724 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.05 145.87 49.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.66 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -55.27 -46.8 76.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 110.812 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -39.91 87.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -66.93 -34.93 78.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.432 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.63 98.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.11 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.551 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 88.7 t -64.03 -37.84 80.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.122 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -56.61 -51.14 69.81 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.96 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.1 t -68.53 -37.75 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.118 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.471 ' CD2' HG13 ' A' ' 19' ' ' ILE . 45.2 tp -58.45 -43.37 88.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.54 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 3.0 mtp180 -58.24 -37.75 75.5 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.815 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 66.4 mm-40 -63.49 -43.96 95.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.559 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.6 mt -69.66 -41.36 80.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.63 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 t -64.84 -38.68 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.7 m -89.76 15.98 8.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.252 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.556 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -119.06 156.75 29.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.742 0.306 . . . . 0.0 110.177 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.34 145.43 26.33 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.322 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.35 173.25 13.26 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.57 131.56 11.54 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.475 2.117 . . . . 0.0 111.593 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.484 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 97.2 mt -99.74 122.36 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.752 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.1 m -107.37 113.16 26.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.917 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 mt -104.38 125.08 50.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.474 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.7 m -105.78 96.99 6.88 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 53' ' ' MET . 15.5 m -101.26 144.08 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.316 0.579 . . . . 0.0 112.474 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.47 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -110.24 114.45 27.94 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.403 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.308 -179.351 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 43.4 t30 . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.828 0.346 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 37.2 mt -98.52 126.43 51.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.921 0.391 . . . . 0.0 110.809 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -121.8 131.4 73.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.382 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.8 m -105.51 106.36 16.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.15 0.5 . . . . 0.0 110.574 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.4 m -106.12 157.14 6.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.672 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 85' ' ' SER . 0.7 OUTLIER -121.03 143.34 49.11 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.469 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.531 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 28.5 mt -114.65 137.69 51.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.704 0.288 . . . . 0.0 111.145 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.442 ' OD1' ' HB2' ' A' ' 10' ' ' GLU . 27.2 t-20 -85.31 108.67 17.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.862 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.2 mmm -87.29 12.21 12.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.16 0.505 . . . . 0.0 111.403 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.442 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 55.0 mm-40 -84.12 -55.59 4.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -84.64 -23.11 29.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.653 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -112.72 140.03 47.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.634 0.254 . . . . 0.0 110.548 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -100.71 -23.71 14.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.044 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -130.44 154.03 48.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.134 0.492 . . . . 0.0 110.619 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.408 HD21 HD12 ' A' ' 84' ' ' ILE . 14.5 mt -80.95 -36.97 30.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.487 -178.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 50.74 6.5 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.392 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pt -151.22 102.94 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.912 0.356 . . . . 0.0 110.716 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.6 p -75.47 121.28 22.11 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.163 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.7 mm -78.15 131.41 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.582 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.8 t -113.44 122.38 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.753 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.65 120.19 5.6 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.435 -0.888 . . . . 0.0 111.886 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -83.1 114.35 21.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.876 0.369 . . . . 0.0 110.194 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.7 m -107.71 170.34 8.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.566 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -174.61 -161.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.34 -35.35 79.22 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.447 ' HB3' ' OD1' ' A' ' 28' ' ' ASP . 22.0 mmt85 -82.75 -60.06 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.48 -23.36 10.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.606 -0.807 . . . . 0.0 113.482 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.447 ' OD1' ' HB3' ' A' ' 26' ' ' ARG . 2.8 p-10 -79.7 47.36 0.84 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.133 0.492 . . . . 0.0 111.548 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.34 -38.12 53.53 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.494 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.41 168.17 26.69 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.354 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 pt -100.82 130.13 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.13 0.491 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.468 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 39.6 m-85 -120.13 157.75 28.33 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.805 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.3 mm -76.38 111.81 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.672 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.24 -66.28 2.06 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.795 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -146.15 152.87 39.96 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.637 -0.331 . . . . 0.0 111.0 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -103.96 137.41 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.395 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.4 mmt -101.32 125.34 47.94 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -61.51 122.81 16.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.464 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.31 -15.13 20.56 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.766 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.2 167.02 54.06 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.639 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.95 -33.6 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.5 t -74.2 -34.8 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.38 . . . . 0.0 110.432 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.86 -15.43 63.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.105 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.27 -21.9 27.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.956 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -84.68 -76.52 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.58 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.19 -23.61 12.47 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.409 -0.901 . . . . 0.0 114.188 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -69.21 -32.99 72.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.684 0.742 . . . . 0.0 111.169 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.418 HG12 HG21 ' A' ' 88' ' ' VAL . 35.7 mt -85.16 133.94 28.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -137.33 162.05 57.42 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.784 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.87 111.12 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.478 2.118 . . . . 0.0 111.336 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.5 -13.56 6.54 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.138 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.414 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 89.6 m-20 -69.41 145.14 53.08 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.468 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.5 ttt -99.62 130.15 45.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.617 0.246 . . . . 0.0 111.151 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.9 mt -85.45 121.77 28.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.335 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 89' ' ' ALA . 58.3 mt -104.45 -60.77 1.54 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.187 0.518 . . . . 0.0 111.171 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -126.2 135.1 51.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.66 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.486 ' O ' HG22 ' A' ' 60' ' ' VAL . 85.4 t -131.13 101.0 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.108 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 62.4 61.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.964 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 74.78 -40.59 0.45 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.724 -1.125 . . . . 0.0 113.781 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 57' ' ' VAL . 33.4 m -71.29 129.73 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.325 0.583 . . . . 0.0 110.7 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -97.25 127.99 43.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.016 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -98.24 -5.35 33.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.713 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.57 -22.66 66.52 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.852 0.358 . . . . 0.0 111.437 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -111.71 30.91 6.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.903 0.382 . . . . 0.0 110.726 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.4 mtp -134.79 170.4 15.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.354 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.8 p -82.6 164.22 20.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -61.87 -32.0 72.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.359 0.599 . . . . 0.0 109.867 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 6.2 m-20 -74.06 -53.01 10.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.379 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -58.93 -39.29 81.14 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.643 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.45 -47.28 79.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.034 0.445 . . . . 0.0 110.993 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.78 -39.48 77.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.04 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 86.8 mtt180 -55.3 -50.4 69.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.9 t -70.29 -39.14 76.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.821 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.6 tp -56.48 -42.76 78.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.934 0.397 . . . . 0.0 110.52 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -57.23 -35.67 69.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.575 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 19.9 mm-40 -69.29 -36.21 76.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 111.282 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.7 mt -78.37 -39.64 24.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.211 0.529 . . . . 0.0 110.428 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.68 -37.38 79.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.01 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -92.9 23.0 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.898 0.38 . . . . 0.0 110.926 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 3.8 tp-100 -117.4 149.21 40.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.999 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 121.15 24.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.273 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.82 154.51 6.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.838 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.84 140.84 82.11 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.682 2.255 . . . . 0.0 112.536 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.408 HD12 HD21 ' A' ' 15' ' ' LEU . 36.2 mt -116.03 121.72 68.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 52.9 m -100.95 130.93 47.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.686 179.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.5 mt -113.78 118.45 34.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.021 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m -96.96 97.96 9.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.418 HG21 HG12 ' A' ' 48' ' ' ILE . 5.0 m -103.3 144.29 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.471 0.653 . . . . 0.0 112.528 -178.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.713 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -106.3 121.84 45.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.746 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 22.6 mtpp . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.242 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 46.3 t30 . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.728 0.299 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.4 mt -93.83 123.4 45.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 110.946 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 mt -126.05 141.37 45.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.318 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 m -118.12 111.16 18.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.62 0.248 . . . . 0.0 110.482 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.78 146.49 22.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.921 0.391 . . . . 0.0 111.017 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 85' ' ' SER . 57.7 m -112.05 129.54 56.18 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.466 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 15.3 mt -105.6 144.44 32.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.298 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.474 HD21 ' HB2' ' A' ' 10' ' ' GLU . 13.8 t-20 -87.81 116.81 26.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.238 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 87.7 mmm -97.12 11.65 35.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.127 0.489 . . . . 0.0 111.254 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.474 ' HB2' HD21 ' A' ' 8' ' ' ASN . 60.8 mm-40 -83.11 -46.54 12.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.761 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -93.26 -12.32 30.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.403 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -110.89 152.22 26.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -109.16 -36.15 6.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.386 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -129.6 163.41 26.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.632 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.3 mt -86.1 -32.4 21.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.048 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.56 53.15 13.26 Favored Glycine 0 C--O 1.226 -0.39 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.789 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pt -150.46 103.73 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 116.852 0.326 . . . . 0.0 111.169 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.2 p -72.16 120.43 17.76 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.541 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.3 mm -81.3 130.5 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.499 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.7 t -122.42 111.75 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.11 125.11 6.77 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.382 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -78.1 123.16 26.54 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.17 160.06 21.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.776 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -172.5 -160.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.036 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.55 -42.86 97.44 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.161 0.288 . . . . 0.0 111.66 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -79.88 -67.47 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.196 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.9 -26.3 4.52 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.229 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -79.09 54.97 1.72 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.371 0.605 . . . . 0.0 111.536 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 -34.71 24.44 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.795 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.76 160.54 34.1 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.553 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 pt -93.74 133.0 36.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 0.0 110.993 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -120.17 157.93 28.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.5 mm -79.31 116.3 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 50' ' ' PRO . . . -80.4 -67.67 1.54 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.84 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.14 147.04 36.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.475 0.179 . . . . 0.0 110.71 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 49' ' ' GLU . 24.8 mt -100.36 137.18 28.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.215 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 16.1 mmt -104.43 133.51 49.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.344 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -61.91 136.73 58.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.643 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.15 -13.09 60.41 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.983 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.1 162.99 46.83 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.78 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.71 -37.64 82.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.683 0.278 . . . . 0.0 111.569 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.78 -32.59 41.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.169 0.509 . . . . 0.0 110.731 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.5 -25.74 66.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.309 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.48 4.63 30.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.661 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -100.66 -80.94 0.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.505 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.34 -26.17 6.12 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.579 -0.819 . . . . 0.0 113.588 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -77.4 -37.7 51.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.128 0.464 . . . . 0.0 111.512 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.0 mt -81.22 135.96 24.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HA ' HD11 ' A' ' 36' ' ' ILE . 8.3 pt-20 -144.85 165.04 24.2 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.538 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 50.3 Cg_exo -56.05 125.4 18.96 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.273 1.982 . . . . 0.0 111.424 178.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.35 -15.76 15.1 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.588 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.421 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 98.1 m-20 -71.52 140.56 49.96 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.424 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 27.8 ttt -97.99 130.47 44.83 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 mt -86.97 124.22 32.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.771 0.32 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.521 HD11 ' HB2' ' A' ' 89' ' ' ALA . 34.1 mt -108.3 -77.59 0.6 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.893 0.377 . . . . 0.0 111.133 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.44 ' H ' ' HB ' ' A' ' 87' ' ' THR . 4.3 tt0 -103.03 127.06 50.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.036 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.465 ' O ' HG22 ' A' ' 60' ' ' VAL . 97.1 t -123.86 95.9 3.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 1.6 m-20 59.74 69.75 0.69 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.906 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 78.3 m-20 78.34 -52.74 0.49 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.986 0.914 . . . . 0.0 113.169 178.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 57' ' ' VAL . 16.1 m -67.27 140.1 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.117 0.484 . . . . 0.0 111.607 -178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -116.04 140.12 49.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.779 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -106.95 8.65 30.63 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.53 -38.99 78.92 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -109.88 32.14 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.277 0.561 . . . . 0.0 110.914 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.7 mtp -129.92 149.9 51.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.249 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.88 152.75 45.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.361 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -55.84 -43.2 76.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.9 0.381 . . . . 0.0 110.724 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.64 -51.81 65.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.347 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 8.6 m-20 -63.75 -39.42 94.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.844 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.73 76.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.771 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.585 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 94.0 t -66.21 -41.39 89.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.232 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' A' ' 69' ' ' ASP . 89.6 mtt180 -55.1 -48.47 73.52 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.61 -40.85 82.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.671 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.9 tp -57.5 -43.22 84.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.813 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 13.3 mtp85 -60.45 -35.28 75.49 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.157 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 25.9 mm-40 -66.9 -42.88 84.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.815 0.34 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 38.7 mt -72.55 -40.0 62.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.556 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.6 -38.98 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.053 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.1 m -89.9 24.98 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.899 0.38 . . . . 0.0 111.261 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 1.5 tp-100 -127.36 150.39 49.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.294 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.49 152.28 37.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.866 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.84 154.16 10.01 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.623 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.07 142.14 79.67 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.927 2.418 . . . . 0.0 112.029 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.6 mt -117.65 121.81 68.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.995 0.426 . . . . 0.0 110.832 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 23.7 m -101.26 117.99 36.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.781 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.8 mt -103.78 121.3 42.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.328 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.44 ' HB ' ' H ' ' A' ' 56' ' ' GLN . 2.8 m -96.64 99.06 10.7 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 177.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.6 m -97.04 149.48 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.379 0.609 . . . . 0.0 112.08 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.521 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -116.24 112.38 21.52 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.306 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.421 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 23.8 mtpp . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.392 -0.813 . . . . 0.0 110.232 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 61.5 mt -97.17 132.12 42.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.546 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.7 mt -126.07 133.26 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.923 0.392 . . . . 0.0 110.908 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.66 108.37 18.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.925 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.5 m -112.43 156.35 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.876 0.369 . . . . 0.0 111.203 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 t -112.8 143.18 44.48 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.65 141.33 46.56 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.088 0.471 . . . . 0.0 111.519 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.445 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 26.1 t-20 -87.79 100.63 13.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.3 mmm -87.33 4.0 44.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.587 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -73.89 -60.43 2.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.577 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.43 -42.77 22.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.341 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 20.7 m80 -79.11 145.9 33.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.37 -179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -101.29 -21.33 14.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.656 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -145.64 173.87 11.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 111.287 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.465 HD11 HG22 ' A' ' 78' ' ' VAL . 13.2 mt -88.86 -42.71 11.7 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.494 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.44 46.91 7.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.23 -0.509 . . . . 0.0 112.844 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 pt -148.35 106.18 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.7 p -71.72 136.46 47.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.378 0.609 . . . . 0.0 111.03 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mm -92.03 127.86 44.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.34 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -114.84 112.84 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.738 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.3 104.62 2.73 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.047 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.618 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 61.4 tt0 -64.81 118.67 9.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.198 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -106.96 153.43 22.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.946 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -155.16 -175.34 5.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.4 -37.15 86.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.686 0.279 . . . . 0.0 111.182 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -77.13 -68.06 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.341 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.72 -29.82 1.84 Allowed Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.193 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -79.51 76.16 6.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.618 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -92.36 -63.97 1.12 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.307 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.35 147.96 9.27 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.15 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 pt -89.63 123.61 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.259 0.552 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.479 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 43.0 m-85 -114.94 157.37 23.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.462 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.8 mm -79.63 111.26 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.376 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.39 -80.3 0.51 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.912 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.42 146.46 50.47 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.788 0.327 . . . . 0.0 110.896 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 49' ' ' GLU . 35.2 mt -98.35 142.43 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.1 mmt -111.74 128.13 56.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.917 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -65.94 118.39 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.107 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.4 -11.95 8.47 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.13 169.74 44.33 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.12 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 12' ' ' HIS . . . -64.69 -36.81 85.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.56 -32.15 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.982 0.42 . . . . 0.0 111.08 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.69 -4.64 24.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.039 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.41 9.73 27.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.477 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -108.79 -67.06 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.266 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.98 -17.76 41.0 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.493 -0.86 . . . . 0.0 114.699 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -78.91 -32.32 45.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 117.961 0.88 . . . . 0.0 111.556 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.1 mt -89.44 135.91 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.505 ' HA ' HD11 ' A' ' 36' ' ' ILE . 9.3 pt-20 -142.41 163.32 39.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.442 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.14 125.59 19.67 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.339 2.026 . . . . 0.0 111.75 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.44 -14.57 18.03 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.903 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 95.3 m-20 -74.14 146.62 43.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.479 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 26.9 ttt -105.39 137.97 42.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.491 0.186 . . . . 0.0 110.612 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.8 mt -88.52 119.47 29.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 89' ' ' ALA . 70.2 mt -97.05 -67.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.099 0.476 . . . . 0.0 110.605 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -120.88 132.87 55.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.066 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.428 HG13 HD23 ' A' ' 86' ' ' LEU . 57.3 t -125.88 98.29 4.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.817 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 1.4 m-20 60.43 61.3 1.79 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.573 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.481 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 34.6 m-20 81.38 -45.18 0.2 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.21 1.004 . . . . 0.0 113.489 178.153 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.4 m -70.31 127.03 31.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.573 0.701 . . . . 0.0 110.775 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -97.58 133.62 41.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.413 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -109.29 5.03 23.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -61.26 -36.4 79.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.877 0.37 . . . . 0.0 111.267 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -110.91 36.27 3.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.929 0.395 . . . . 0.0 110.918 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 90.2 mtp -130.72 153.81 48.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.222 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.95 155.46 40.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.334 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -53.79 -47.27 70.95 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.026 0.441 . . . . 0.0 110.943 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.84 -51.96 67.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.164 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -59.97 -39.18 84.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.656 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.54 -47.53 83.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.057 0.456 . . . . 0.0 110.37 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.446 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 94.8 t -67.29 -38.19 80.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.57 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -58.28 -51.08 71.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.362 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.11 -41.18 91.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.819 0.343 . . . . 0.0 110.474 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.57 -42.07 87.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.551 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 33.5 mtp85 -58.71 -37.39 75.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -67.85 -36.84 81.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.989 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.7 mt -75.34 -41.32 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.284 0.564 . . . . 0.0 110.198 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.465 HG22 HD11 ' A' ' 15' ' ' LEU . 40.4 t -63.67 -33.94 64.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.204 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m -94.24 24.56 4.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.143 0.497 . . . . 0.0 110.659 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -120.33 177.27 5.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.268 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.19 127.54 55.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.518 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.87 158.73 7.76 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.938 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.37 124.97 14.18 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.718 2.279 . . . . 0.0 111.814 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.26 122.93 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.08 0.467 . . . . 0.0 111.139 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.43 123.75 46.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.924 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.428 HD23 HG13 ' A' ' 57' ' ' VAL . 95.0 mt -109.34 118.83 37.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.748 -178.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -100.23 95.3 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.6 m -96.41 145.78 8.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -108.47 115.94 31.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.903 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 22.5 mtpp . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.559 -0.734 . . . . 0.0 109.763 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.574 0.226 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 mt -93.76 122.2 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.79 0.329 . . . . 0.0 110.292 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 mt -116.43 135.75 55.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.816 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 m -110.41 115.63 29.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.746 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.8 m -120.75 145.37 27.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.01 0.433 . . . . 0.0 111.338 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.3 t -102.13 140.85 35.86 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.0 mt -117.77 129.89 55.96 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.919 0.39 . . . . 0.0 111.742 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -80.22 112.75 17.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.025 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mmm -98.39 15.77 23.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.985 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -83.71 -56.5 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -85.24 -19.9 30.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.31 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -99.41 145.98 26.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.561 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -113.15 -6.11 13.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.919 0.39 . . . . 0.0 110.38 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -156.27 161.99 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.131 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.535 HD21 HD12 ' A' ' 84' ' ' ILE . 60.1 mt -87.14 -35.1 18.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.346 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.67 53.28 8.54 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.769 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -154.67 104.99 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.973 0.387 . . . . 0.0 110.707 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.8 p -74.53 127.82 34.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.264 0.554 . . . . 0.0 110.649 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.7 mm -83.58 130.03 36.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.27 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.0 t -121.33 117.03 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.735 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.14 129.45 9.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.566 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -80.48 112.84 18.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.955 0.407 . . . . 0.0 110.126 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -98.81 151.65 20.58 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.171 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -163.57 -162.4 0.72 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -61.74 -48.97 78.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.641 0.258 . . . . 0.0 110.739 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -80.46 -50.97 9.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.789 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.54 13.78 25.3 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.827 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -100.25 26.9 6.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.99 0.424 . . . . 0.0 110.482 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.0 -43.16 97.08 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.35 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.23 166.16 28.85 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.245 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.0 pt -98.05 134.84 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.187 0.518 . . . . 0.0 111.383 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -124.55 161.44 26.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.501 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.1 mm -78.28 119.25 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.953 178.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.46 -80.59 1.12 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.627 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.3 m -124.2 146.8 48.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.979 0.418 . . . . 0.0 111.397 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.464 HD11 ' HA ' ' A' ' 49' ' ' GLU . 43.4 mt -102.24 143.85 14.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.214 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.3 mmt -112.07 131.98 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -62.62 134.52 56.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.569 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.77 -7.93 63.37 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.106 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.68 160.62 49.07 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.358 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.46 73.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.796 0.332 . . . . 0.0 111.363 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.5 t -71.15 -39.65 73.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 120.932 0.396 . . . . 0.0 110.769 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.3 69.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.276 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.2 -18.8 60.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -92.13 -64.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.973 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.9 -14.17 61.74 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.642 -0.79 . . . . 0.0 114.521 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -72.45 -25.83 61.6 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 117.852 0.826 . . . . 0.0 111.75 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.6 mt -94.86 134.43 32.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HA ' HD11 ' A' ' 36' ' ' ILE . 10.9 pt-20 -137.87 166.81 23.4 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.911 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.75 137.15 77.55 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.303 2.002 . . . . 0.0 111.897 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.57 -15.03 61.54 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.787 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -67.07 141.29 57.54 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.3 ttt -95.02 123.76 38.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.459 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 mt -86.93 112.94 22.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' A' ' 89' ' ' ALA . 40.8 mt -94.87 -61.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.89 0.376 . . . . 0.0 111.685 -178.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -124.52 139.8 53.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.83 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.0 t -133.17 100.71 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.661 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 m120 62.29 67.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.382 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 73.47 -54.22 0.69 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.133 0.973 . . . . 0.0 113.314 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.5 m -63.01 119.34 6.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.55 0.691 . . . . 0.0 111.256 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -93.9 138.01 32.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.03 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -110.01 9.28 24.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.629 0.252 . . . . 0.0 111.464 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.56 -27.98 69.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.973 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -118.63 27.76 8.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.0 110.606 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 92.3 mtp -118.46 161.25 20.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.362 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.97 151.9 41.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.135 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -52.55 -49.63 64.5 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.357 0.411 . . . . 0.0 111.681 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.56 -49.6 76.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.654 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -38.9 88.49 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.224 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.22 -46.61 85.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.096 0.474 . . . . 0.0 110.185 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.7 t -66.38 -38.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.464 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 72' ' ' ARG . 62.9 mtt180 -58.12 -51.6 69.02 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.264 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.98 -42.38 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.47 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.8 tp -58.3 -41.27 84.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.064 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -58.58 -42.98 89.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.189 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -61.96 -39.38 91.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.42 -44.02 63.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.768 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.1 t -63.82 -33.48 62.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.332 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 m -88.14 8.11 28.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.309 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.24 160.16 16.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.939 0.399 . . . . 0.0 110.606 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 m -89.11 132.26 34.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.06 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.7 160.08 8.77 Favored Glycine 0 N--CA 1.452 -0.269 0 N-CA-C 111.911 -0.475 . . . . 0.0 111.911 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.5 138.78 67.0 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.989 2.459 . . . . 0.0 112.331 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.535 HD12 HD21 ' A' ' 15' ' ' LEU . 20.2 mt -105.77 128.15 60.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.5 m -103.11 110.97 23.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.184 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.0 mt -102.78 129.11 49.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.062 0.458 . . . . 0.0 111.331 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.15 101.25 8.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.9 m -106.36 147.78 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.286 0.565 . . . . 0.0 112.222 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.697 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -111.14 110.87 21.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.478 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.246 -179.343 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.3 t30 . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.6 mt -97.6 125.63 50.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.89 0.376 . . . . 0.0 110.454 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.7 mt -123.89 131.9 72.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.136 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -106.79 117.02 32.96 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.2 m -114.22 145.84 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.763 0.316 . . . . 0.0 111.423 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 t -107.55 128.42 54.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.425 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 29.0 mt -108.04 155.7 20.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.115 0.483 . . . . 0.0 111.564 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -99.88 113.17 25.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.619 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 98.8 mmm -95.96 20.53 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.585 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -99.06 -58.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -72.66 -28.83 62.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.252 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -105.75 155.35 19.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.613 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -117.19 -30.65 5.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.622 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -126.87 154.68 44.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.008 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.1 mt -78.78 -35.19 44.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.77 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.43 50.37 9.97 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.395 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 pt -152.65 107.16 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -71.17 137.36 48.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.347 0.594 . . . . 0.0 110.959 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.6 mm -94.07 119.52 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.081 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.5 t -114.07 116.52 52.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.96 137.18 13.74 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.437 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -95.85 114.61 26.35 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -123.02 104.37 9.18 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.994 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -102.7 -151.27 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -62.52 -43.21 99.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.01 0.433 . . . . 0.0 110.442 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -70.37 -61.42 1.78 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.306 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.38 -37.83 2.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.53 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -81.06 68.51 7.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.366 0.603 . . . . 0.0 110.95 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.04 -24.25 25.37 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.328 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.2 172.09 36.9 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.613 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 pt -112.51 132.76 60.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.038 0.447 . . . . 0.0 110.594 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -121.29 155.93 33.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.621 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.6 mm -72.71 124.54 29.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.131 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.75 -82.88 1.02 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.147 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.57 145.84 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.57 0.224 . . . . 0.0 110.72 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.414 HD11 ' HA ' ' A' ' 49' ' ' GLU . 28.9 mt -100.04 128.55 51.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.035 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.0 mmt -98.28 127.31 44.15 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.598 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -64.28 139.36 58.76 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.567 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.4 -9.99 61.13 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.366 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.02 168.69 47.31 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.337 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -62.18 -37.68 86.2 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.1 t -73.79 -33.53 37.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.877 0.37 . . . . 0.0 110.936 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.57 -19.92 65.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.393 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.97 -16.22 30.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.892 0.377 . . . . 0.0 110.986 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.453 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 10.1 t70 -89.82 -64.92 1.07 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.013 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.84 -15.37 63.2 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.562 -0.828 . . . . 0.0 114.347 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.453 ' HB2' ' OD1' ' A' ' 45' ' ' ASP . 67.0 mtm180 -69.52 -24.29 63.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.857 0.829 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 54.8 mt -96.93 137.88 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' HA ' HD11 ' A' ' 36' ' ' ILE . 10.1 pt-20 -138.65 161.71 57.05 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.557 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.96 124.45 16.31 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.329 2.019 . . . . 0.0 111.547 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.04 -19.84 17.52 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.661 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -64.29 133.46 52.76 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.8 ttt -91.1 131.72 36.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.299 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.9 mt -83.85 121.92 28.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.931 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.602 HD11 ' HB2' ' A' ' 89' ' ' ALA . 47.3 mt -107.17 -68.15 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.167 0.508 . . . . 0.0 110.731 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.426 ' H ' ' HB ' ' A' ' 87' ' ' THR . 10.5 tt0 -111.66 123.23 49.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.822 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.556 ' O ' HG22 ' A' ' 60' ' ' VAL . 77.7 t -117.16 106.39 20.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.987 0.422 . . . . 0.0 110.67 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.422 ' OD1' ' HA ' ' A' ' 84' ' ' ILE . 2.1 t30 55.61 60.66 3.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.464 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.6 t0 78.5 -36.96 0.2 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 57' ' ' VAL . 7.5 m -79.4 141.64 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.239 0.543 . . . . 0.0 111.014 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -102.85 139.74 38.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.263 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -116.63 4.31 13.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.399 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -56.24 -35.03 66.92 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -107.8 20.04 19.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 93.5 mtp -116.11 164.22 14.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.0 p -75.67 158.92 31.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.549 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -59.81 -41.19 90.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.11 0.481 . . . . 0.0 110.247 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.0 -51.64 67.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.999 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -65.63 -36.9 85.04 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.555 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.43 -48.15 77.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.916 0.389 . . . . 0.0 110.328 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.66 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 93.2 t -67.64 -39.15 81.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.417 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -55.16 -48.82 73.2 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.586 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 36.6 t -68.29 -40.5 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 0.0 110.216 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.451 HD13 HG11 ' A' ' 57' ' ' VAL . 26.7 tp -58.63 -39.71 81.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.554 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 41.3 mtp85 -56.56 -45.29 81.37 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.418 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 73.6 mm-40 -66.01 -40.53 91.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.158 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.23 -42.73 88.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.072 0.463 . . . . 0.0 110.808 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.1 t -67.6 -35.08 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.307 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.2 m -91.56 19.36 6.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.413 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 1.5 tp-100 -118.25 147.26 43.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.37 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.01 125.45 28.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.324 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.03 156.33 6.74 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.59 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.33 143.75 48.97 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.422 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 69.8 mt -118.18 127.2 75.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.552 -178.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 51.0 m -102.93 123.62 46.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.504 178.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.8 mt -107.95 129.08 55.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.958 0.408 . . . . 0.0 111.679 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.426 ' HB ' ' H ' ' A' ' 56' ' ' GLN . 1.3 m -108.11 103.71 12.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.159 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 m -108.0 150.41 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.32 0.581 . . . . 0.0 112.415 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.602 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -107.6 109.33 20.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.163 178.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.358 -0.829 . . . . 0.0 109.832 -179.818 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 66.4 t30 . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.8 mt -95.92 122.83 47.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.984 0.421 . . . . 0.0 110.588 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.7 mt -120.14 128.32 75.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.04 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -107.41 124.07 49.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.112 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 85' ' ' SER . 18.0 m -118.72 145.28 24.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.076 0.465 . . . . 0.0 111.737 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.21 115.76 30.72 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.525 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 36.6 mt -99.21 145.6 27.07 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.565 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -96.73 119.66 35.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.424 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.6 mmm -99.94 13.59 33.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.951 0.405 . . . . 0.0 111.397 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -83.89 -51.17 7.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -86.08 -30.46 22.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.55 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -97.03 144.86 26.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.231 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -108.6 -13.61 14.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.441 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -146.54 162.06 39.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.189 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.6 mt -84.02 -36.99 22.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.167 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.43 53.81 6.5 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.995 -0.548 . . . . 0.0 113.036 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -157.85 107.91 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 122.494 0.317 . . . . 0.0 110.559 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.1 p -75.46 130.34 38.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.153 0.501 . . . . 0.0 110.302 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.1 mm -83.81 130.22 36.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.434 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.5 t -121.61 114.49 43.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.934 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.74 132.87 11.42 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.946 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.407 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 62.4 tt0 -85.43 116.13 23.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.819 0.342 . . . . 0.0 110.232 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.2 m -98.25 164.64 12.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.09 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -172.94 -175.25 1.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.53 -24.13 66.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.304 0.573 . . . . 0.0 109.718 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -84.87 -76.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.626 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.57 -31.75 2.55 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.839 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -80.37 53.18 1.75 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.391 0.615 . . . . 0.0 111.436 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -77.52 -33.6 42.74 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.173 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.98 174.45 39.41 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.074 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 pt -111.74 131.35 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.112 0.482 . . . . 0.0 111.524 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -117.82 165.82 13.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.448 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.62 118.67 32.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.739 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -79.4 -76.94 0.94 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.652 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 m -132.07 143.8 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.523 -0.398 . . . . 0.0 110.97 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.751 HD11 ' HA ' ' A' ' 49' ' ' GLU . 66.2 mt -91.48 141.6 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.383 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 17.9 mmt -106.7 122.52 46.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.137 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -59.62 120.93 10.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.751 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.14 -6.67 28.88 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.248 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.42 166.28 45.56 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.573 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -59.9 -37.44 79.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.683 0.277 . . . . 0.0 111.673 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.423 ' CG1' ' HB ' ' A' ' 48' ' ' ILE . 98.6 t -72.15 -34.92 51.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.022 0.439 . . . . 0.0 110.82 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.42 -23.6 67.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.6 -23.0 40.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.354 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -81.39 -65.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.81 -17.75 54.04 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.37 -0.919 . . . . 0.0 114.491 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -76.23 -21.46 56.36 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.021 0.91 . . . . 0.0 111.882 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.423 ' HB ' ' CG1' ' A' ' 42' ' ' VAL . 32.7 mt -96.13 133.44 37.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.764 0.316 . . . . 0.0 110.151 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.751 ' HA ' HD11 ' A' ' 36' ' ' ILE . 8.4 pt-20 -142.82 165.21 27.73 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.17 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -53.3 126.39 21.49 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.359 2.039 . . . . 0.0 111.759 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.05 -20.36 16.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.328 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 95.3 m-20 -68.28 136.81 54.05 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.1 ttt -97.98 130.35 44.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.756 0.312 . . . . 0.0 111.581 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.7 mt -82.61 108.69 16.19 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 89' ' ' ALA . 49.4 mt -94.22 -51.88 4.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.007 0.432 . . . . 0.0 111.397 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -131.56 138.74 49.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.983 -178.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.663 ' O ' HG22 ' A' ' 60' ' ' VAL . 98.8 t -134.84 109.51 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.8 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m120 55.8 56.87 5.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.558 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 73.35 -14.74 0.6 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 57' ' ' VAL . 2.3 m -88.61 138.0 20.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 121.66 -0.65 . . . . 0.0 110.332 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -100.33 132.16 45.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.761 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -105.65 -3.98 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.393 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -65.02 -17.22 64.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.953 0.406 . . . . 0.0 111.683 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -117.1 18.85 14.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.966 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.5 mtp -123.38 155.86 36.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.759 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -68.72 157.84 35.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.538 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -56.44 -45.96 80.54 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.939 0.399 . . . . 0.0 110.626 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.41 -44.26 91.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.764 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.476 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 4.2 m-20 -62.37 -40.34 96.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.159 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.22 88.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.567 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 86.9 t -65.81 -41.44 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.409 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.476 ' HD2' ' HA ' ' A' ' 69' ' ' ASP . 91.3 mtt180 -55.99 -49.59 73.21 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.237 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.55 -41.96 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 78' ' ' VAL . 35.9 tp -57.39 -43.63 83.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.659 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 24.1 mtp180 -57.88 -35.79 71.49 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.439 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 64.0 mm-40 -65.88 -37.55 86.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.0 mt -77.07 -41.11 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.5 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 74' ' ' LEU . 87.8 t -65.16 -31.87 55.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.2 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.6 m -97.2 25.69 5.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.111 0.482 . . . . 0.0 111.188 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 2.3 tp-100 -124.83 151.39 45.3 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.77 118.39 27.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.915 0.388 . . . . 0.0 110.839 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.22 171.11 23.72 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.739 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.99 135.96 28.67 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.698 2.265 . . . . 0.0 112.253 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 72.8 mt -114.27 122.48 68.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.155 0.502 . . . . 0.0 110.69 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.4 m -114.73 120.16 39.14 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.612 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 mt -106.69 129.96 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.391 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -107.74 100.03 9.45 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 20.1 m -105.08 154.02 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.159 0.504 . . . . 0.0 111.777 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.477 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -113.02 120.86 42.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.496 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 23.6 mtpp . . . . . 0 C--O 1.253 1.247 0 CA-C-O 118.338 -0.839 . . . . 0.0 109.5 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.7 mt -99.57 130.72 48.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.869 0.366 . . . . 0.0 111.132 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 mt -124.49 129.02 73.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.584 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -109.27 118.15 35.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.998 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -117.41 143.49 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.812 0.339 . . . . 0.0 111.372 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 t -109.55 113.62 26.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.1 mt -94.52 137.63 33.41 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -84.04 112.38 20.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.506 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.0 mmm -96.92 20.05 11.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.248 0.547 . . . . 0.0 110.853 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -85.07 -49.82 7.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.532 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -88.66 -30.51 19.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.374 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -93.96 149.51 21.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.735 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -112.92 -10.36 13.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.06 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -151.14 162.05 41.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.816 0.341 . . . . 0.0 110.618 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -83.2 -39.29 21.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.5 53.44 5.51 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.433 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.56 HG22 HG12 ' A' ' 36' ' ' ILE . 1.8 pt -155.21 106.68 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 116.636 0.218 . . . . 0.0 110.691 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.8 p -73.67 118.61 16.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.498 0.666 . . . . 0.0 110.374 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.0 mm -75.29 131.92 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.137 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.5 t -114.16 124.35 70.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.054 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.37 113.78 4.64 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.925 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.4 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.0 tt0 -76.15 115.12 15.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.11 0.481 . . . . 0.0 110.401 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.2 m -112.88 142.11 45.93 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.578 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -143.37 -160.74 1.15 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.151 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.06 -44.66 88.24 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.97 0.169 . . . . 0.0 111.113 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -72.79 -66.0 0.72 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.062 0.458 . . . . 0.0 110.054 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.46 -42.79 1.01 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.519 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -74.08 92.7 2.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.335 0.588 . . . . 0.0 110.591 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -114.0 -29.73 2.73 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.842 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.55 162.22 36.94 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.611 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.5 pt -101.13 128.97 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.135 0.493 . . . . 0.0 110.398 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 44.3 m-85 -117.74 162.4 18.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.235 -178.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.4 mm -82.05 121.08 34.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.742 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.32 -88.37 1.33 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.966 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.3 m -113.99 131.34 56.37 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.045 0.45 . . . . 0.0 111.634 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.56 HG12 HG22 ' A' ' 17' ' ' ILE . 47.2 mt -91.86 135.3 27.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.485 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 20.0 mmt -104.46 131.51 51.76 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.962 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -67.77 131.1 44.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.671 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.92 -9.78 34.26 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.33 164.98 36.96 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.706 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.16 73.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.56 0.219 . . . . 0.0 111.409 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.8 t -73.39 -39.28 54.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.681 0.276 . . . . 0.0 111.012 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.99 73.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.196 0.522 . . . . 0.0 110.246 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.73 -16.73 58.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.751 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -82.49 -65.55 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.12 -7.94 69.73 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.578 -0.82 . . . . 0.0 114.949 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -85.82 -26.08 25.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.272 1.036 . . . . 0.0 111.522 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.8 mt -92.52 137.59 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -138.95 162.84 50.31 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.613 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.21 129.7 36.21 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.549 2.166 . . . . 0.0 112.118 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.88 -20.28 22.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.656 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -72.8 143.29 47.95 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.56 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 25.0 ttt -100.04 139.83 35.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.741 0.305 . . . . 0.0 111.501 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.3 125.36 34.63 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' A' ' 89' ' ' ALA . 14.6 mt -103.6 -66.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.146 0.498 . . . . 0.0 111.021 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -121.62 137.37 54.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.632 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.1 t -133.97 101.06 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.083 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 4.7 m-20 64.18 58.89 1.1 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 28.7 m-20 77.91 -45.91 0.44 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.941 -1.027 . . . . 0.0 113.4 178.374 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 m -67.94 130.12 32.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.49 0.662 . . . . 0.0 110.951 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -98.44 133.62 42.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.538 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -107.19 -2.85 20.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.284 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.74 -41.2 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.111 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -108.31 30.0 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.042 0.448 . . . . 0.0 111.393 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.5 mtp -118.07 162.89 17.45 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.256 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.29 147.28 40.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.066 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -51.29 -47.47 62.53 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.019 0.438 . . . . 0.0 111.13 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.46 -51.32 70.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.367 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.427 ' O ' HG23 ' A' ' 73' ' ' VAL . 10.5 m-20 -65.31 -37.93 88.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.756 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.78 86.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.963 0.411 . . . . 0.0 110.296 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.607 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 78.0 t -65.71 -41.02 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.333 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -57.53 -50.86 71.7 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.702 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 69' ' ' ASP . 44.7 t -61.84 -41.32 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.749 0.309 . . . . 0.0 110.276 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.64 -39.4 84.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.149 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.607 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 59.7 mtp85 -58.64 -44.4 90.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -61.63 -45.08 95.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.654 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.17 -43.71 84.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.085 0.469 . . . . 0.0 110.716 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.3 t -63.24 -30.29 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.59 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.5 m -89.56 -1.46 58.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.875 0.369 . . . . 0.0 110.819 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.16 164.71 11.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.606 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.82 144.21 25.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.19 161.33 10.68 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.193 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -69.54 135.84 32.01 Favored 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 122.354 2.036 . . . . 0.0 111.985 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -107.72 121.55 60.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.788 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -100.27 119.42 38.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.76 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.8 mt -105.85 129.94 53.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.657 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.24 103.32 11.46 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.6 m -107.49 151.32 9.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.286 0.565 . . . . 0.0 112.409 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.593 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -106.57 110.86 23.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.48 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.282 -0.865 . . . . 0.0 110.734 -179.026 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.818 0.342 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 88' ' ' VAL . 7.5 mt -89.54 119.41 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.873 0.368 . . . . 0.0 110.96 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.4 HG22 HG13 ' A' ' 5' ' ' VAL . 41.7 mt -113.46 124.24 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.865 0.364 . . . . 0.0 110.411 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.2 m -96.91 113.77 25.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.841 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.4 HG13 HG22 ' A' ' 3' ' ' ILE . 26.5 m -122.52 143.1 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.997 0.427 . . . . 0.0 111.507 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -106.67 142.08 36.9 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.475 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 20.2 mt -117.05 142.57 46.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.156 0.503 . . . . 0.0 111.599 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -87.56 115.83 25.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.348 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 95.9 mmm -100.06 15.15 28.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.967 0.413 . . . . 0.0 111.437 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -86.94 -50.19 6.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.349 0.595 . . . . 0.0 109.635 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -87.79 -19.0 28.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.232 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -108.82 136.92 47.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.357 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -99.34 -10.37 22.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -152.07 167.66 27.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.695 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.7 mt -88.32 -39.09 14.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.51 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.4 47.3 9.1 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.541 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.462 HG22 HG12 ' A' ' 36' ' ' ILE . 2.7 pt -148.9 106.75 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 116.801 0.3 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.6 p -73.43 130.24 39.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.393 0.616 . . . . 0.0 110.85 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 mm -87.67 129.71 38.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.732 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.1 t -119.1 116.25 50.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.001 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.58 131.95 10.74 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.929 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -87.98 102.88 15.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.063 0.458 . . . . 0.0 110.203 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -98.02 148.62 23.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.21 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -165.38 -167.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.72 -40.71 69.52 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.631 0.253 . . . . 0.0 110.963 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -81.41 -65.58 0.99 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.82 -26.11 6.29 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.222 -0.99 . . . . 0.0 113.714 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -85.28 44.11 1.07 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.156 0.503 . . . . 0.0 111.421 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.76 -32.51 81.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.626 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.69 168.58 27.52 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.334 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.4 pt -102.8 130.23 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.158 0.504 . . . . 0.0 111.057 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -118.54 157.26 27.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.304 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.6 mm -78.08 118.92 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.23 -68.43 1.44 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.693 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 p -137.27 144.06 42.51 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.43 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.462 HG12 HG22 ' A' ' 17' ' ' ILE . 61.7 mt -102.64 134.73 42.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.1 mmt -108.74 135.04 50.62 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.972 0.415 . . . . 0.0 110.674 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -66.36 135.57 54.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.31 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.85 -14.3 37.92 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.433 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.96 164.73 41.05 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.382 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.475 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.63 -36.3 78.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.705 0.288 . . . . 0.0 111.625 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -70.99 -35.31 58.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.824 0.345 . . . . 0.0 110.825 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.99 -22.95 66.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.503 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.92 -14.49 56.06 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.789 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -88.62 -73.29 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.1 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.08 -20.5 28.53 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.931 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -72.44 -31.11 65.2 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 117.391 0.596 . . . . 0.0 111.876 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.7 mt -86.39 137.56 20.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HA ' HD11 ' A' ' 36' ' ' ILE . 8.0 pt-20 -141.42 162.1 49.08 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.169 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.13 129.92 37.46 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.043 1.829 . . . . 0.0 111.062 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.71 -13.85 32.35 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.426 -178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 86.3 m-20 -69.89 134.89 48.92 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.7 ttt -96.79 130.39 44.06 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.692 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.9 mt -87.95 125.54 34.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 89' ' ' ALA . 75.1 mt -103.04 -71.24 0.73 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.125 0.488 . . . . 0.0 111.097 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -112.16 131.02 55.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.546 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.551 ' O ' HG23 ' A' ' 60' ' ' VAL . 78.0 t -122.8 103.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.596 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.6 m120 55.33 70.89 0.58 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.614 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 76.57 -50.51 0.58 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.901 0.881 . . . . 0.0 113.01 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -68.67 127.15 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.032 0.444 . . . . 0.0 111.95 -178.681 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -99.4 129.36 45.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.697 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -102.42 14.81 30.97 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -69.99 -14.94 62.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.637 0.256 . . . . 0.0 111.623 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -120.76 17.72 11.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.92 0.391 . . . . 0.0 110.84 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 76.7 mtp -122.97 149.55 44.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.006 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m -71.51 160.34 32.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.711 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -52.24 -44.24 64.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.246 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.34 -46.9 79.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.151 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.79 -37.46 67.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.554 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.24 -47.07 79.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.197 0.522 . . . . 0.0 110.599 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 85.6 t -69.47 -35.34 66.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.512 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -55.88 -55.18 35.62 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.801 0.334 . . . . 0.0 110.941 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.64 -41.55 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.504 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.08 -43.69 91.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.065 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 44.6 mtp85 -59.46 -37.01 77.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.798 0.333 . . . . 0.0 110.882 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -70.27 -40.27 74.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.6 mt -69.5 -41.63 80.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.167 0.508 . . . . 0.0 110.077 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.1 t -62.69 -32.05 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.617 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.6 m -91.22 18.57 6.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 111.274 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.23 160.66 18.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.847 0.356 . . . . 0.0 110.171 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.58 98.36 8.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.39 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 178.64 169.47 39.39 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.862 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.89 126.73 15.74 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.679 2.252 . . . . 0.0 111.961 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 84.0 mt -103.99 129.36 56.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.567 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 m -124.86 125.95 44.79 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.0 mt -115.83 145.55 42.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.468 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 24.5 p -113.96 105.32 13.1 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 2' ' ' ILE . 10.6 m -96.06 127.35 48.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.301 0.572 . . . . 0.0 112.079 -178.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.479 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -93.7 94.99 8.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.91 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 19.9 mtpp . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.328 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.5 t30 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.94 0.4 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 63.1 mt -97.02 115.32 36.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.218 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.7 mt -114.72 137.78 47.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.906 0.384 . . . . 0.0 110.656 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -114.14 112.88 23.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.551 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 m -113.14 143.07 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.87 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -107.45 123.57 48.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.434 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 41.1 mt -93.29 142.26 27.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.4 -178.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -91.9 112.23 24.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.1 mmm -95.12 13.13 26.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.491 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -86.52 -48.09 8.68 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -91.44 -9.99 42.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.623 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -115.97 155.3 28.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.832 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -120.95 -11.57 8.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.336 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -147.9 160.68 42.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.194 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 mt -87.8 -33.5 18.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.982 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.14 52.47 11.09 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.474 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -154.3 107.04 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 116.714 0.257 . . . . 0.0 110.638 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.5 p -74.14 123.69 24.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.367 0.603 . . . . 0.0 110.942 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.1 mm -81.81 123.88 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.094 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.4 t -116.24 115.8 50.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.295 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.73 132.45 11.16 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.816 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.411 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 61.6 tt0 -91.57 115.12 27.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.651 0.263 . . . . 0.0 110.693 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.55 162.56 12.85 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -163.84 -152.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -51.44 43.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.76 0.314 . . . . 0.0 110.506 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -77.04 -61.67 1.9 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.108 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.5 -25.33 3.62 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.367 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -77.46 68.14 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.5 0.667 . . . . 0.0 111.378 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -93.48 -35.29 6.27 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.155 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.29 161.96 34.08 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.412 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 pt -97.65 134.58 35.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.974 0.416 . . . . 0.0 110.995 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 59.5 m-85 -121.31 156.69 32.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.161 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.9 mm -74.52 112.95 12.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.04 -69.78 1.37 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.014 -0.612 . . . . 0.0 113.068 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.73 143.43 39.05 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.777 0.322 . . . . 0.0 111.52 -179.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -94.15 132.38 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.794 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 17.0 mmt -105.79 123.88 48.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.988 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -61.39 128.81 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.561 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.59 -15.81 19.5 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.13 166.01 43.9 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.414 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.434 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.95 -34.87 75.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.2 t -71.33 -32.93 48.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.54 -19.62 65.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.982 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.74 -11.27 54.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.247 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -96.9 -81.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.272 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.3 -13.02 16.27 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.201 -1.0 . . . . 0.0 114.23 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -73.7 -24.28 59.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.748 0.774 . . . . 0.0 111.023 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.1 mt -95.86 139.92 18.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.091 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -144.44 164.33 29.12 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.365 -0.38 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.85 121.91 10.89 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.368 2.046 . . . . 0.0 111.219 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.55 -19.94 9.64 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.672 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.411 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 99.9 m-20 -67.52 135.64 53.32 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.499 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 25.7 ttt -95.07 134.08 38.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.635 0.255 . . . . 0.0 110.791 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.2 mt -89.01 119.69 29.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 89' ' ' ALA . 40.1 mt -100.44 -70.18 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.132 0.491 . . . . 0.0 110.512 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -114.49 132.09 56.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.83 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.5 t -124.92 91.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 64.49 75.74 0.37 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.882 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 72.67 -51.27 0.71 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.102 -0.954 . . . . 0.0 113.387 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 m -69.93 130.12 34.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.123 0.487 . . . . 0.0 111.709 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -107.07 138.14 43.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.887 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -111.19 10.13 21.83 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -55.99 -37.09 68.63 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -110.4 19.62 18.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.791 0.329 . . . . 0.0 111.263 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 94.0 mtp -113.43 153.88 27.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.806 0.336 . . . . 0.0 110.531 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.03 152.81 39.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.769 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -54.06 -46.34 71.92 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.097 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -62.05 -47.22 85.7 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.749 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -60.84 -38.28 84.95 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.784 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.03 83.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.271 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.4 t -68.82 -37.36 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.62 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -55.58 -56.18 23.36 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.648 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.5 -39.46 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.283 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 78' ' ' VAL . 45.2 tp -57.47 -44.54 84.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.684 179.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -58.72 -37.58 76.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.386 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -67.12 -39.92 86.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.944 0.402 . . . . 0.0 110.569 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.3 mt -70.97 -41.97 77.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.46 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 74' ' ' LEU . 57.8 t -64.24 -31.16 52.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.537 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.8 m -91.6 19.19 6.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.545 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -115.64 157.3 24.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.12 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.99 122.04 38.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.961 0.41 . . . . 0.0 111.201 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.74 179.72 26.73 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.165 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.64 121.2 5.44 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.118 2.545 . . . . 0.0 111.917 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.3 mt -101.94 118.91 49.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.693 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.2 m -100.45 129.88 46.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.627 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.5 mt -111.37 124.34 52.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.23 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.4 m -105.44 100.77 10.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.1 m -101.54 149.27 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -177.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.43 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -112.34 107.68 16.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.412 178.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 22.8 mtpp . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.232 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.3 mt -94.88 119.82 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.873 0.368 . . . . 0.0 110.729 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 87.5 mt -118.54 134.34 62.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m -105.12 97.3 7.17 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.53 HG21 HD11 ' A' ' 48' ' ' ILE . 12.0 m -89.02 150.32 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.914 0.387 . . . . 0.0 111.449 -178.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 t -108.74 126.38 52.95 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.2 mt -108.46 130.07 55.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.998 0.428 . . . . 0.0 110.909 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -93.46 116.05 28.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.947 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.6 mmm -98.41 14.08 29.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.083 0.468 . . . . 0.0 111.057 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -80.97 -39.61 25.73 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -110.95 17.99 19.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.092 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -139.71 145.32 38.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -107.96 -23.88 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.872 0.368 . . . . 0.0 110.665 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -140.83 164.92 28.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.545 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.4 mt -84.77 -38.67 19.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.97 49.16 6.55 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.682 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -152.84 104.95 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.77 0.285 . . . . 0.0 110.903 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.9 p -72.8 121.58 20.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.311 0.577 . . . . 0.0 110.354 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.4 mm -79.23 130.15 36.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.965 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.3 t -119.06 120.73 64.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.22 115.88 4.58 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.135 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.488 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 57.3 tt0 -75.76 116.47 16.51 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.8 m -112.78 154.1 26.76 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.189 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -158.55 -169.1 2.62 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.28 -39.07 89.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.887 0.375 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -68.85 -50.1 52.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.449 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.4 -43.57 1.65 Allowed Glycine 0 C--O 1.237 0.334 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.525 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.56 87.75 5.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.54 0.686 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -105.65 -34.52 3.28 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.206 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.29 159.94 24.22 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.358 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 pt -99.1 127.09 52.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.123 0.487 . . . . 0.0 110.566 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.45 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 61.8 m-85 -118.69 155.3 31.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.007 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 mm -77.71 116.29 20.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.021 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.0 -78.13 1.02 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.006 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.33 138.74 54.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.951 0.405 . . . . 0.0 111.879 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.7 mt -97.78 136.88 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.339 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.0 mmt -111.46 132.85 54.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.895 0.379 . . . . 0.0 110.79 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -67.55 126.35 29.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.275 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.49 -14.2 13.3 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.553 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.43 167.28 40.87 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.227 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.49 74.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.775 0.321 . . . . 0.0 111.187 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.4 t -69.53 -34.45 61.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.24 -22.01 66.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.718 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.71 -13.5 45.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.422 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 14.2 t70 -88.95 -68.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.085 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.08 -18.66 54.18 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 120.801 -0.714 . . . . 0.0 114.551 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' HB2' ' OD1' ' A' ' 45' ' ' ASP . 80.0 mtm180 -75.36 -26.71 58.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 117.807 0.803 . . . . 0.0 111.384 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.53 HD11 HG21 ' A' ' 5' ' ' VAL . 64.4 mt -85.34 134.26 27.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -135.45 162.81 55.07 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.306 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.96 125.88 19.97 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.234 1.956 . . . . 0.0 111.159 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.39 -13.98 30.52 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.132 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -65.75 137.34 57.2 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.45 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 28.6 ttt -97.41 130.54 44.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.688 0.28 . . . . 0.0 111.286 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.28 115.38 26.72 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.8 mt -100.44 -47.27 4.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.126 0.488 . . . . 0.0 110.914 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -127.36 138.14 52.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.767 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' HG22 ' A' ' 60' ' ' VAL . 80.8 t -136.58 109.12 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 3.7 m-20 54.91 59.81 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.216 0.322 . . . . 0.0 111.696 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 44.1 m-20 76.82 -45.51 0.49 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 57' ' ' VAL . 17.9 m -67.78 140.46 19.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.367 0.603 . . . . 0.0 111.547 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -98.73 138.5 35.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.744 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -112.57 1.91 16.01 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -64.03 -31.24 72.36 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.704 0.287 . . . . 0.0 110.919 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -105.16 31.83 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.068 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 72.2 mtp -135.13 159.37 41.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.3 p -74.83 159.34 32.05 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -55.71 -42.89 75.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.257 0.551 . . . . 0.0 110.089 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.0 -51.17 67.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.418 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.41 ' O ' HG23 ' A' ' 73' ' ' VAL . 8.6 m-20 -63.7 -36.2 83.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.48 77.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.054 0.454 . . . . 0.0 110.161 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 86.4 t -67.34 -36.43 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.313 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -56.64 -48.03 78.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.409 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 69' ' ' ASP . 28.3 t -69.32 -41.81 81.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.982 0.42 . . . . 0.0 110.062 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.3 tp -56.24 -42.04 76.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.948 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 31.6 mtp85 -58.37 -43.14 88.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.279 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -64.92 -37.94 89.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.69 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.61 -42.64 71.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.403 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.2 t -64.33 -39.58 86.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.386 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.6 m -78.12 -4.43 47.38 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.659 0.266 . . . . 0.0 111.686 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.42 155.02 17.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.722 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.79 168.51 19.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.964 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.16 -179.72 26.02 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.127 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.34 157.13 14.67 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.78 2.32 . . . . 0.0 112.12 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.5 mt -126.59 120.94 57.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.9 m -105.22 118.2 35.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.6 mt -107.44 133.73 51.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.012 0.434 . . . . 0.0 111.511 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 m -109.09 99.86 9.11 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.4 m -99.79 142.72 14.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.082 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.23 107.76 18.86 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.725 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.263 -179.546 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.953 0.406 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.4 mt -85.31 125.92 40.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.45 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.0 mt -128.55 133.78 65.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.647 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.93 120.87 42.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.024 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 85' ' ' SER . 19.6 m -113.84 139.46 39.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.771 0.319 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 m -106.58 107.64 18.75 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.478 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 58.1 mt -86.28 137.52 32.54 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.546 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -86.56 114.32 23.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.692 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mmm -97.4 13.81 28.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.488 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -85.76 -48.42 8.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.408 0.623 . . . . 0.0 109.39 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -91.68 -24.82 19.38 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.48 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -101.34 141.1 34.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.216 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -103.04 -28.73 11.81 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -132.94 156.12 47.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.201 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.3 mt -80.91 -36.93 30.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . 75.82 49.19 9.08 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.651 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pt -148.46 104.0 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 116.955 0.378 . . . . 0.0 110.82 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.413 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 80.0 p -73.23 118.62 16.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.401 0.619 . . . . 0.0 110.713 -179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.405 ' H ' ' H19' ' A' ' 91' ' ' SUZ . 7.5 mm -76.89 128.32 37.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.28 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.05 117.31 54.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.31 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.6 129.92 9.69 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.865 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -88.4 115.66 26.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.843 0.354 . . . . 0.0 110.581 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.96 140.7 37.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.92 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -150.27 -166.05 2.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.781 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.51 -44.36 97.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.559 0.218 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -75.49 -67.72 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.91 -22.49 4.04 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.168 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -83.25 55.84 3.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.412 0.625 . . . . 0.0 110.829 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.62 -25.22 54.31 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.156 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.06 165.93 39.8 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.959 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.8 pt -103.85 132.46 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.035 0.445 . . . . 0.0 110.522 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 56.1 m-85 -121.11 161.69 21.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.111 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.1 mm -81.99 117.71 28.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.984 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.92 -75.28 0.96 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.612 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.8 m -135.5 149.95 49.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.823 0.344 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 71.8 mt -100.14 128.95 51.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.046 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.7 mmt -94.55 123.21 37.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.259 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.27 125.62 24.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.79 -6.28 24.09 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.569 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.33 169.08 34.19 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.465 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.478 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -62.96 -34.63 77.92 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.77 -37.37 73.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.834 0.349 . . . . 0.0 111.0 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.81 -15.76 63.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.266 0.555 . . . . 0.0 110.56 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.99 -12.73 43.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.619 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -95.18 -74.14 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.962 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.82 -23.49 17.01 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.932 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -68.01 -33.28 74.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.404 0.602 . . . . 0.0 111.179 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.8 mt -85.36 135.91 23.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -141.06 161.16 55.04 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.089 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.79 120.3 6.88 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.459 2.106 . . . . 0.0 112.055 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.47 -7.95 22.49 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.611 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 85.3 m-20 -72.95 141.77 47.8 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.498 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 27.6 ttt -98.77 134.53 41.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.907 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.4 mt -89.29 120.6 30.79 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.806 HD11 ' HB2' ' A' ' 89' ' ' ALA . 23.6 mt -103.92 -64.77 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.167 0.508 . . . . 0.0 111.111 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 8.2 tt0 -120.9 134.89 55.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.462 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.69 ' O ' HG22 ' A' ' 60' ' ' VAL . 65.7 t -128.8 100.13 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 8.3 m120 58.86 60.44 2.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.383 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 14.3 m-20 77.39 -38.3 0.28 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.306 -0.861 . . . . 0.0 113.226 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 57' ' ' VAL . 2.3 m -66.58 142.12 17.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.143 0.497 . . . . 0.0 110.812 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -109.86 131.96 54.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -110.84 0.48 17.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.649 0.261 . . . . 0.0 111.282 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -61.9 -32.16 72.51 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -117.16 33.12 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.347 0.594 . . . . 0.0 110.606 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.2 mtp -121.64 160.68 23.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.55 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.05 149.94 47.14 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -53.08 -51.28 62.36 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.126 0.489 . . . . 0.0 110.802 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 1.3 m-20 -63.69 -42.53 97.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.913 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -63.99 -35.49 80.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.091 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.29 97.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.78 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.7 t -67.64 -34.99 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.213 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 78.2 mtt180 -58.71 -54.59 45.31 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.123 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.47 -38.32 81.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.513 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' O ' HG23 ' A' ' 78' ' ' VAL . 46.5 tp -59.3 -42.9 92.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.433 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -60.48 -35.17 75.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.212 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.31 -34.28 77.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.927 0.394 . . . . 0.0 110.629 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.5 mt -79.65 -43.25 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.194 0.521 . . . . 0.0 110.18 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 74' ' ' LEU . 69.2 t -64.42 -28.97 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.389 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 m -99.04 28.46 4.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.979 0.419 . . . . 0.0 110.581 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -124.27 -179.1 4.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.171 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.93 140.49 39.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.788 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.12 169.2 12.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.665 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.56 131.07 19.39 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.004 2.469 . . . . 0.0 111.951 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.6 mt -102.16 116.63 46.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.195 0.521 . . . . 0.0 110.614 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 67.6 m -103.71 116.28 32.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.435 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.472 HD23 HG13 ' A' ' 57' ' ' VAL . 96.4 mt -105.19 124.06 48.9 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.939 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -101.75 104.48 15.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.7 m -102.77 151.05 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.806 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -108.32 107.46 18.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.474 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.496 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 25.4 mtpp . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.541 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.717 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 40.8 t30 . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.81 0.338 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.5 mt -88.74 122.9 40.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.568 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 mt -119.48 131.56 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.973 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 m -108.17 110.87 22.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.752 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.646 HG21 HD11 ' A' ' 48' ' ' ILE . 11.6 m -106.82 142.18 20.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.177 0.513 . . . . 0.0 111.883 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 t -109.64 113.19 25.76 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.486 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 58.6 mt -98.34 142.64 29.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.415 0.626 . . . . 0.0 112.233 -177.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -90.65 112.89 24.81 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.472 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.5 mmm -99.35 25.04 7.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -92.13 -55.1 3.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -87.59 -0.56 57.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.318 0.58 . . . . 0.0 109.867 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -119.56 158.44 26.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.681 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -121.63 -15.32 8.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.679 0.276 . . . . 0.0 110.986 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -145.73 159.19 43.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.16 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.2 mt -83.24 -37.51 23.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.765 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.04 48.62 7.53 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.384 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.462 HG13 ' H11' ' A' ' 91' ' ' SUZ . 1.6 pt -144.18 101.61 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 116.636 0.218 . . . . 0.0 111.028 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.422 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 60.5 p -71.08 116.4 11.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.372 0.606 . . . . 0.0 110.23 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.7 mm -73.76 137.88 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.007 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.69 117.26 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.968 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.98 120.05 5.38 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.746 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -87.33 112.91 22.57 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m -113.18 147.74 36.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.586 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -151.4 -171.12 3.85 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.53 -29.88 64.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.98 0.419 . . . . 0.0 110.586 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -83.58 -57.76 3.1 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.86 -34.19 4.59 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.438 -0.887 . . . . 0.0 113.246 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.35 58.61 2.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.13 0.49 . . . . 0.0 111.676 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.54 -39.02 11.23 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.197 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.22 165.87 26.69 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.403 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 pt -101.14 128.6 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.967 0.413 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 58.1 m-85 -118.32 160.01 22.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.176 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.4 mm -81.52 116.78 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.691 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.47 -74.94 1.17 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.097 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.02 146.95 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.008 0.432 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.417 HG12 HG22 ' A' ' 17' ' ' ILE . 21.1 mt -107.77 135.56 46.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.381 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.3 mmt -101.49 128.98 47.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.755 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -64.58 133.78 53.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.549 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.07 -12.02 57.35 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.457 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.07 165.89 51.2 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.681 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.04 -34.98 74.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.578 0.227 . . . . 0.0 111.414 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.7 t -71.26 -40.74 74.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.11 0.481 . . . . 0.0 110.773 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.0 -10.78 53.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.977 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.21 -12.68 43.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.603 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -93.71 -69.03 0.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 110.18 -25.7 15.43 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.329 -0.938 . . . . 0.0 113.706 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -70.08 -31.21 68.68 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 117.238 0.519 . . . . 0.0 111.529 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.646 HD11 HG21 ' A' ' 5' ' ' VAL . 64.8 mt -83.19 135.08 25.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -144.7 160.07 48.69 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -49.85 126.77 17.42 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.615 2.21 . . . . 0.0 111.948 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.66 -16.72 26.06 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.055 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -68.17 139.53 56.11 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.495 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 28.2 ttt -100.25 128.9 46.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.671 0.272 . . . . 0.0 110.972 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.5 mt -85.52 110.51 19.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.105 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.574 HD11 ' HB2' ' A' ' 89' ' ' ALA . 58.0 mt -90.62 -65.23 1.03 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.289 0.566 . . . . 0.0 110.573 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -119.76 134.07 55.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.791 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.544 HG13 HD23 ' A' ' 86' ' ' LEU . 59.2 t -128.11 102.15 8.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.92 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 63.32 64.62 0.82 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.757 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 76.46 -48.04 0.55 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.992 0.917 . . . . 0.0 113.25 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 m -70.64 123.65 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.386 0.612 . . . . 0.0 111.415 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -95.58 126.47 40.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.239 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -99.11 11.46 38.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.75 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.82 -28.48 69.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.704 0.287 . . . . 0.0 111.269 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -110.93 19.28 18.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.067 0.461 . . . . 0.0 111.204 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 97.8 mtp -120.46 159.14 25.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.623 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.3 m -72.79 160.62 31.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -56.37 -48.11 77.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.719 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 1.1 m-20 -60.83 -47.27 87.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.493 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.91 -38.62 82.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.058 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.8 79.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.428 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.448 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 92.5 t -63.81 -35.34 72.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 65.5 mtt85 -58.16 -58.23 9.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.29 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.3 t -65.26 -33.44 63.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.043 0.449 . . . . 0.0 110.185 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.77 -41.28 90.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.013 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 1.1 mtt85 -62.95 -36.77 84.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 30.8 mm-40 -64.38 -35.38 80.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.038 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.6 mt -81.05 -44.0 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.357 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.488 HG21 ' H14' ' A' ' 91' ' ' SUZ . 23.1 t -63.18 -33.22 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.606 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -95.08 17.98 13.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.82 0.343 . . . . 0.0 110.755 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 4.8 tp-100 -114.79 164.08 14.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.739 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.08 132.77 41.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 139.06 -174.16 22.28 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.696 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -83.65 141.9 10.04 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.701 2.268 . . . . 0.0 112.176 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.5 mt -120.45 121.43 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.066 0.46 . . . . 0.0 111.092 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 60.7 m -104.13 126.56 51.34 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.115 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.544 HD23 HG13 ' A' ' 57' ' ' VAL . 87.9 mt -111.93 119.59 39.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.706 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.1 m -99.5 99.6 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.8 m -99.44 145.51 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.406 0.622 . . . . 0.0 112.481 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -107.17 107.09 17.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.813 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.295 -179.508 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.663 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 50.7 t30 . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.905 0.383 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 54.7 mt -90.89 123.27 42.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.877 0.37 . . . . 0.0 111.184 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.3 mt -126.01 129.58 72.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.939 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.7 m -100.98 119.24 38.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.5 m -107.47 137.44 38.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.637 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.4 t -107.91 118.58 37.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.512 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 15.4 mt -108.43 150.98 26.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.43 0.529 . . . . 0.0 112.43 -177.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -92.88 126.46 37.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.758 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.3 mmm -109.22 21.14 17.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.991 0.424 . . . . 0.0 111.028 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -84.91 -54.81 4.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.103 0.477 . . . . 0.0 109.851 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -89.96 -16.85 29.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.23 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -100.18 135.13 42.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.3 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -101.22 -20.13 15.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.711 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -142.08 156.88 45.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.887 0.375 . . . . 0.0 110.766 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.1 mt -82.67 -34.81 27.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.42 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . 74.09 54.86 6.07 Favored Glycine 0 C--O 1.223 -0.586 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.398 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.483 HG13 ' H11' ' A' ' 91' ' ' SUZ . 1.0 OUTLIER -151.31 103.09 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 116.892 0.346 . . . . 0.0 110.857 -179.79 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.411 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 89.7 p -73.64 120.14 18.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.569 0.7 . . . . 0.0 110.658 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 mm -77.81 125.72 37.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.528 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.2 t -116.49 117.5 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.981 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.72 129.18 9.64 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.991 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.493 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 49.2 tt0 -97.0 121.74 39.22 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -129.57 150.34 50.94 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.102 0.477 . . . . 0.0 110.623 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -142.05 -147.1 0.2 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -60.41 -46.11 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.961 0.41 . . . . 0.0 110.028 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -74.47 -77.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.243 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.51 -22.09 2.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.827 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -79.34 50.06 1.05 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.095 0.474 . . . . 0.0 111.729 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.493 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -75.98 -37.13 39.19 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.676 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.48 159.18 27.95 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.513 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.5 pt -99.4 127.2 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.082 0.468 . . . . 0.0 110.372 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.462 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 86.0 m-85 -114.27 160.78 18.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.052 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.4 mm -81.78 117.15 27.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.569 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.57 -95.73 0.22 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.309 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.7 m -117.03 144.3 44.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.801 0.334 . . . . 0.0 110.759 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 74.7 mt -97.82 129.1 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.455 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 36.9 mmt -91.69 133.48 35.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.27 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -63.3 131.16 47.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.79 -9.99 57.13 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.692 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.79 161.87 42.53 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.226 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.512 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -59.39 -32.49 70.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.64 0.257 . . . . 0.0 111.661 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.2 t -74.55 -36.38 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.559 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.92 -21.82 65.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.286 0.565 . . . . 0.0 110.5 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.11 -10.06 53.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.775 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -93.06 -71.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.61 -20.44 32.04 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.542 -0.837 . . . . 0.0 114.243 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -71.12 -32.53 69.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 117.621 0.711 . . . . 0.0 111.323 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.7 mt -85.8 138.05 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -138.88 162.26 53.62 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.586 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.73 114.66 2.05 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.384 2.056 . . . . 0.0 111.588 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.46 -14.83 8.68 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.382 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -69.49 143.31 53.53 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.462 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.1 ttt -99.85 136.38 39.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.55 0.214 . . . . 0.0 111.282 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.4 mt -87.25 120.78 28.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.745 HD11 ' HB2' ' A' ' 89' ' ' ALA . 57.2 mt -102.25 -52.26 3.18 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.227 0.537 . . . . 0.0 111.001 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -134.8 139.35 45.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.555 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.5 t -133.62 101.2 3.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 61.64 67.83 0.74 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.934 0.397 . . . . 0.0 111.613 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 72.57 -46.01 0.64 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.2 m -68.79 135.71 27.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.346 0.594 . . . . 0.0 111.628 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -96.78 129.12 44.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.462 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -100.42 -5.68 26.78 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -59.79 -37.74 79.94 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.842 0.354 . . . . 0.0 110.95 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -102.57 37.62 1.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 76.6 mtp -139.8 149.7 43.83 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.97 154.27 31.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.403 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -55.56 -46.27 77.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.668 0.27 . . . . 0.0 111.162 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -64.54 -45.33 87.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.242 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 22.4 m-20 -62.43 -40.14 95.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.78 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.43 90.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.076 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.615 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 77.9 t -66.23 -43.58 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.801 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 69' ' ' ASP . 91.1 mtt180 -51.4 -54.62 24.8 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.224 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.56 -37.21 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.04 -44.62 94.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.806 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 13.0 mtp180 -58.0 -39.88 79.37 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.666 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -63.45 -40.34 96.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.994 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.1 mt -73.23 -45.9 51.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.134 0.493 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.0 t -61.37 -28.98 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.531 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.3 m -91.82 -0.73 57.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.327 . . . . 0.0 111.286 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.75 156.27 17.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.429 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.3 m -84.78 136.98 33.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.991 0.424 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.26 158.86 8.24 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.451 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.74 138.91 72.01 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.77 2.313 . . . . 0.0 111.443 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.4 mt -117.03 126.01 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.962 0.411 . . . . 0.0 111.22 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.0 m -108.61 127.02 53.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.76 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.8 mt -111.59 121.37 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.946 0.403 . . . . 0.0 111.459 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.8 m -96.06 100.43 12.09 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 26.0 m -102.84 145.85 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.423 0.63 . . . . 0.0 112.157 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.745 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -105.95 105.97 16.26 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.729 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.522 -0.751 . . . . 0.0 110.365 -179.594 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.597 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 mt -94.2 133.45 35.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.435 HD12 ' HD3' ' A' ' 90' ' ' LYS . 58.7 mt -127.32 128.38 70.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.72 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.7 m -107.0 115.61 30.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.2 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.7 m -112.58 153.48 14.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.973 0.416 . . . . 0.0 110.998 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -112.88 136.51 52.45 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.497 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 83.7 mt -113.53 141.12 47.53 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.03 0.443 . . . . 0.0 110.876 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -91.9 113.04 25.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.292 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.3 mmm -92.36 9.67 33.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.203 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -86.48 -51.62 6.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.371 0.605 . . . . 0.0 109.684 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -86.28 -21.98 27.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.691 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -110.88 155.45 22.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.734 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -116.36 -28.52 6.48 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.038 0.447 . . . . 0.0 110.495 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -130.71 153.06 49.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.57 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.401 HD21 HD12 ' A' ' 84' ' ' ILE . 29.7 mt -78.07 -36.68 47.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.379 -178.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.434 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 76.87 49.87 7.4 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.52 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -149.24 104.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.437 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 29.6 p -76.7 114.11 15.09 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.527 0.679 . . . . 0.0 111.001 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mm -73.25 133.41 31.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.402 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.2 t -125.74 110.14 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.92 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 31' ' ' ILE . . . -78.99 125.78 7.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.279 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.5 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 62.7 tt0 -81.16 113.77 19.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.746 0.308 . . . . 0.0 110.226 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -97.61 151.45 20.07 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -152.04 -175.63 5.32 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.56 -32.54 67.22 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.099 0.475 . . . . 0.0 110.27 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -88.1 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.33 -21.41 4.08 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.043 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -82.81 54.23 2.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.421 0.629 . . . . 0.0 111.547 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.5 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -78.45 -37.72 26.79 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.59 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.73 156.26 28.39 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.326 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.4 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . 5.5 pt -92.02 129.57 42.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.241 0.543 . . . . 0.0 111.16 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -116.85 166.01 12.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.086 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.7 mm -87.4 117.18 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.484 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.31 -77.62 1.1 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.902 -0.665 . . . . 0.0 113.08 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m -126.05 149.91 48.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.705 0.288 . . . . 0.0 111.454 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.0 mt -105.12 130.78 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.943 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.2 mmt -96.24 130.4 43.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.604 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -69.31 125.41 26.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.923 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.52 -5.85 31.48 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.44 167.78 39.48 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.904 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.497 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -61.71 -38.19 86.98 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.8 t -69.74 -35.02 63.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.014 0.435 . . . . 0.0 111.004 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.69 -15.29 61.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.452 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.22 -0.23 55.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.794 0.331 . . . . 0.0 111.403 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -102.15 -70.6 0.75 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.146 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.4 -26.05 15.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.844 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -65.23 -38.4 90.26 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 117.157 0.478 . . . . 0.0 111.754 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.4 mt -85.69 139.5 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.603 0.239 . . . . 0.0 110.373 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -147.02 162.25 33.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.138 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.31 116.49 3.1 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.5 2.133 . . . . 0.0 111.929 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 126.46 -18.31 6.44 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.263 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.475 ' CG ' ' HZ2' ' A' ' 90' ' ' LYS . 85.3 m-20 -71.69 146.54 48.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.7 ttt -104.83 136.26 44.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.426 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 mt -87.52 126.04 34.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.706 0.289 . . . . 0.0 110.482 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.698 HD11 ' HB2' ' A' ' 89' ' ' ALA . 29.6 mt -107.74 -54.63 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -128.72 139.94 51.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.05 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.2 t -133.87 109.29 12.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.816 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.493 ' OD1' ' HA ' ' A' ' 84' ' ' ILE . 3.2 m120 50.82 60.83 3.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.08 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 74.36 -18.68 0.4 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.914 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.7 t -84.69 123.49 39.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.904 0.383 . . . . 0.0 111.233 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -91.77 122.57 34.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.396 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -101.77 -1.96 31.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.789 0.328 . . . . 0.0 111.403 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -62.66 -22.59 66.57 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -119.04 28.06 8.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.93 0.395 . . . . 0.0 110.922 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.3 mtp -124.07 160.24 28.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.434 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.27 153.62 42.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.504 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -54.59 -48.33 72.27 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.02 -49.81 75.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.832 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -60.16 -39.43 86.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.387 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.32 -49.73 75.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.531 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.17 -35.35 73.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.69 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -60.06 -52.41 65.47 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.841 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.74 -38.05 81.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.14 0.495 . . . . 0.0 110.082 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.4 -40.33 86.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.255 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -57.0 -42.06 79.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.037 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 29.9 mm-40 -64.71 -37.08 86.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.352 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -76.11 -43.03 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.14 0.495 . . . . 0.0 110.536 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.39 -34.5 64.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.442 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 m -96.65 21.51 9.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.917 0.389 . . . . 0.0 110.765 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 2.8 tp-100 -115.69 168.91 9.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.309 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.59 151.36 20.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.298 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.55 159.51 12.14 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.826 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.58 125.7 13.7 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.822 2.348 . . . . 0.0 112.144 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.493 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 78.8 mt -92.92 131.26 40.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.138 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.7 m -114.03 124.36 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.97 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.5 mt -114.66 126.33 54.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.127 0.489 . . . . 0.0 111.766 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -105.31 102.5 11.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.33 154.22 7.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.263 0.554 . . . . 0.0 112.341 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.698 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -109.76 121.4 45.14 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.34 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.475 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 26.7 mtpp . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.357 -0.83 . . . . 0.0 109.826 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.688 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.7 t30 . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.811 0.338 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.4 mt -90.44 126.23 43.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.365 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.3 mt -125.53 130.02 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.02 0.438 . . . . 0.0 110.78 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.25 116.67 33.13 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.904 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 m -116.02 150.84 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.918 0.389 . . . . 0.0 111.033 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -114.09 131.06 56.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.465 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 58.6 mt -112.27 133.74 54.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.984 0.421 . . . . 0.0 111.516 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -88.03 109.42 19.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.361 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.0 mmm -93.32 18.62 9.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.508 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -91.19 -43.4 9.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -94.08 -17.32 22.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.328 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -115.12 141.42 48.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.008 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -108.04 -15.5 14.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.865 0.364 . . . . 0.0 111.374 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -138.93 157.5 45.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.999 0.428 . . . . 0.0 110.211 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.407 HD21 HD12 ' A' ' 84' ' ' ILE . 74.8 mt -87.42 -32.26 19.62 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.242 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.418 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 68.97 54.34 14.68 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.309 -179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.444 ' H ' ' H11' ' A' ' 91' ' ' SUZ . 1.1 pt -153.65 102.68 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.684 0.242 . . . . 0.0 110.795 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.471 ' CA ' ' H9B' ' A' ' 91' ' ' SUZ . 90.5 p -74.53 127.97 34.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.42 0.628 . . . . 0.0 110.36 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.7 mm -81.67 128.58 38.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.996 -178.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -116.7 116.03 50.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.329 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.36 132.51 11.31 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.789 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -89.95 99.1 12.18 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.6 m -108.95 103.72 12.81 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.563 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -100.45 -139.57 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.518 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -76.24 -44.44 37.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.0 0.429 . . . . 0.0 110.752 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -73.2 -57.05 4.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.89 -25.27 7.61 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.729 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.63 54.87 3.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.218 0.532 . . . . 0.0 110.784 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.74 -43.48 6.81 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.158 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.52 167.21 21.86 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.085 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.9 pt -107.31 138.78 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.003 0.43 . . . . 0.0 111.038 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -123.09 158.01 31.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.352 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.6 mm -72.55 115.73 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 50' ' ' PRO . . . -79.46 -85.04 0.59 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.959 -0.638 . . . . 0.0 113.08 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -120.39 137.3 54.38 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 122.604 -0.351 . . . . 0.0 111.126 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.1 mt -95.87 134.24 34.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.562 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.8 mmt -102.54 127.03 49.78 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -62.25 117.82 6.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.19 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.62 -16.03 8.47 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.453 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.19 163.45 50.57 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.9 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -59.93 -34.65 73.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.748 0.308 . . . . 0.0 111.479 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.19 -34.75 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.949 0.404 . . . . 0.0 110.531 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.26 -6.74 47.93 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.63 -25.21 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -77.76 -73.07 0.33 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.977 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.07 -3.96 27.06 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.506 -0.854 . . . . 0.0 114.108 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -93.36 -28.8 15.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 117.626 0.713 . . . . 0.0 111.906 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.4 mt -88.18 137.38 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -140.64 161.98 51.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.309 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.46 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 40.4 Cg_exo -57.46 106.91 0.26 Allowed 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.467 2.111 . . . . 0.0 112.062 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.02 -19.87 3.65 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.592 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -67.39 138.06 56.42 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.419 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 28.3 ttt -91.08 137.23 32.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.643 0.259 . . . . 0.0 111.237 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 54' ' ' LEU . 8.5 mt -90.06 115.15 27.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.929 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.76 HD11 ' HB2' ' A' ' 89' ' ' ALA . 15.5 mt -97.52 -78.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.169 0.509 . . . . 0.0 110.628 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -110.19 134.49 52.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.809 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.2 t -129.01 98.69 4.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.843 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 6.9 m120 62.6 71.13 0.53 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.48 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 58.3 m-20 74.12 -52.35 0.69 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.221 -0.9 . . . . 0.0 113.14 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.1 m -68.61 130.29 33.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.31 0.576 . . . . 0.0 111.327 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -105.75 132.02 52.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.441 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -99.87 6.31 45.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.762 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -54.86 -35.76 64.36 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 111.609 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -119.2 56.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.3 0.572 . . . . 0.0 110.483 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 39.2 mtp -146.58 166.06 27.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.958 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 77.6 p -73.83 156.85 37.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.692 0.282 . . . . 0.0 110.332 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -62.16 -30.58 71.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.195 0.521 . . . . 0.0 110.09 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -50.3 17.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.846 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -61.43 -34.57 75.62 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.488 0.185 . . . . 0.0 111.076 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.26 -46.74 82.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.195 0.521 . . . . 0.0 110.41 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.6 t -70.94 -36.27 63.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.272 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -57.23 -49.75 75.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.547 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.39 -38.49 81.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.866 0.365 . . . . 0.0 110.111 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.56 -41.8 95.31 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.326 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -57.72 -40.47 79.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.064 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -65.34 -45.85 82.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.5 mt -67.26 -40.72 85.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.18 -32.05 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.289 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 m -86.24 0.67 53.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.501 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.68 178.08 4.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.917 0.389 . . . . 0.0 110.979 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.4 p -108.02 135.58 49.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.5 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.86 -178.88 27.06 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.754 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -81.48 128.03 6.0 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.806 2.337 . . . . 0.0 111.568 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.407 HD12 HD21 ' A' ' 15' ' ' LEU . 25.0 mt -99.29 120.49 48.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.018 0.437 . . . . 0.0 110.683 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -111.73 117.21 32.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.757 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.9 mt -108.01 129.02 55.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.964 0.412 . . . . 0.0 111.963 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.7 95.33 5.58 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.5 m -99.34 148.47 6.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.512 0.672 . . . . 0.0 112.278 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.76 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -109.86 112.46 24.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.004 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.823 -179.923 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.592 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 . . . . . 0 N--CA 1.483 1.218 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.0 mt -100.03 118.97 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.584 0.231 . . . . 0.0 110.707 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.8 mt -111.51 132.76 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.009 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m -100.68 111.85 24.16 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 48' ' ' ILE . 7.1 m -115.73 146.78 19.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.062 0.458 . . . . 0.0 111.683 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.1 t -119.65 134.9 55.04 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.532 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 24.0 mt -118.31 156.74 28.35 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.053 0.454 . . . . 0.0 111.797 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 27.4 t-20 -93.14 120.12 33.1 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.474 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mmm -101.01 10.53 40.98 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.304 0.378 . . . . 0.0 111.56 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -83.04 -57.75 3.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -80.04 -32.4 39.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.18 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.455 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 32.2 m80 -92.95 142.06 27.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.216 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -106.92 -12.4 15.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.599 0.238 . . . . 0.0 111.196 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -149.09 159.61 44.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.385 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.0 mt -80.56 -39.23 28.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.026 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.424 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 77.93 48.14 7.98 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.84 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pt -150.57 103.05 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.681 0.24 . . . . 0.0 110.355 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.466 ' CA ' ' H9B' ' A' ' 91' ' ' SUZ . 88.6 p -71.11 123.38 22.0 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.42 -179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.1 mm -82.34 127.68 39.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.435 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.8 t -116.85 118.61 59.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.732 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.22 121.33 5.59 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.213 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.411 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 48.8 tt0 -83.19 127.13 33.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.849 0.356 . . . . 0.0 110.586 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.8 m -138.4 163.14 32.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -156.22 -92.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.454 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -122.47 -36.53 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.042 0.448 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 -78.97 -56.57 4.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.71 -37.72 2.35 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.282 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -79.34 75.85 5.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.636 0.731 . . . . 0.0 111.395 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -98.29 -42.12 3.06 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.201 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.63 163.16 23.36 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.045 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.6 pt -99.76 127.93 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.946 0.403 . . . . 0.0 110.7 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 59.3 m-85 -117.24 160.23 21.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.99 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.9 mm -80.08 120.79 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.142 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.77 -81.14 0.89 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.54 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.2 m -130.18 142.99 50.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.784 0.326 . . . . 0.0 111.013 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.1 mt -94.38 131.02 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.893 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.5 mmt -97.6 125.19 42.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.427 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -64.86 120.84 13.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.112 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.96 -11.02 13.5 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.35 168.69 46.65 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.27 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -62.17 -34.92 77.33 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.68 -31.96 39.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.055 0.455 . . . . 0.0 110.796 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.94 -8.82 40.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.2 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.88 -3.71 29.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.833 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -95.85 -70.29 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.862 0.363 . . . . 0.0 110.121 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.26 -23.76 27.92 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.251 -0.976 . . . . 0.0 113.987 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -74.03 -32.56 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.707 0.754 . . . . 0.0 111.315 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.406 HD11 HG21 ' A' ' 5' ' ' VAL . 54.4 mt -82.31 131.16 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -133.27 161.01 66.36 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.347 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.35 126.33 20.49 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.06 1.84 . . . . 0.0 110.788 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.23 -16.57 22.31 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.956 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -66.83 144.08 56.5 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.467 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.3 ttt -99.6 133.4 43.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.635 0.255 . . . . 0.0 111.046 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.0 mt -89.74 124.7 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.587 HD11 ' HB2' ' A' ' 89' ' ' ALA . 44.9 mt -102.81 -67.75 0.86 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.005 0.431 . . . . 0.0 111.063 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -123.55 138.3 54.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.87 102.67 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.204 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 8.6 m120 63.42 66.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.74 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 39.9 m-20 74.91 -44.36 0.54 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.07 125.99 32.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.475 0.655 . . . . 0.0 111.342 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -96.34 136.51 36.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.449 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -111.38 3.52 18.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -58.57 -33.21 69.69 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.799 0.333 . . . . 0.0 111.16 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -115.8 43.22 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.033 0.444 . . . . 0.0 110.786 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 61.2 mtp -137.36 162.33 33.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.272 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.35 150.27 47.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.31 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -58.42 -47.07 85.14 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.842 0.353 . . . . 0.0 110.739 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.23 -49.8 74.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.487 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -59.15 -40.25 84.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.072 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.31 -48.19 81.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.352 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.491 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 79.7 t -64.52 -37.76 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.206 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -59.04 -48.41 81.71 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.017 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 69' ' ' ASP . 39.0 t -64.05 -42.15 94.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.188 0.518 . . . . 0.0 109.872 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.2 tp -58.44 -40.55 82.87 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.301 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 32.7 mtp85 -57.82 -41.79 82.98 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.001 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -65.32 -42.84 92.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.6 mt -69.28 -43.73 81.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.18 -35.02 72.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.54 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.4 m -83.44 3.75 30.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.928 0.394 . . . . 0.0 111.01 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -109.07 156.28 19.97 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.9 m -95.19 123.13 38.52 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.869 0.366 . . . . 0.0 110.68 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.61 178.48 41.35 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -78.01 93.42 1.09 Allowed 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.492 2.128 . . . . 0.0 111.692 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 55.2 mt -71.92 119.96 19.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.565 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -122.36 125.87 46.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.24 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.58 151.66 46.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.91 0.386 . . . . 0.0 111.375 -178.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.7 p -114.56 113.49 24.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.426 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.4 m -101.03 129.59 51.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.166 0.508 . . . . 0.0 111.669 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.587 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -96.64 104.86 16.88 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.297 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.16 -0.924 . . . . 0.0 109.6 -179.529 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.682 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 42.9 t30 . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.897 0.38 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.8 mt -89.28 121.6 39.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.073 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.9 mt -118.77 132.74 67.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.088 0.47 . . . . 0.0 111.013 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -103.94 111.82 24.53 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 m -107.94 144.64 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.014 0.435 . . . . 0.0 111.471 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -104.35 136.46 43.9 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -121.42 133.78 55.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.954 0.407 . . . . 0.0 111.134 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -91.19 116.31 28.71 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.685 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.9 mmm -96.06 10.03 38.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.173 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -80.95 -37.37 29.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.24 0.543 . . . . 0.0 109.889 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -110.37 14.01 22.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.149 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -138.91 135.06 34.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.434 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -96.52 -28.29 14.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -137.51 164.8 27.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.902 0.382 . . . . 0.0 111.152 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -88.18 -35.63 17.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.434 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 75.8 51.58 7.0 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.784 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.418 HG22 HG12 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -154.38 104.22 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 116.738 0.269 . . . . 0.0 110.351 -179.846 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.508 ' CA ' ' H9B' ' A' ' 91' ' ' SUZ . 84.1 p -71.64 132.84 45.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.282 0.563 . . . . 0.0 110.76 -179.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 mm -88.18 122.97 40.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.265 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.6 t -116.67 109.22 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.818 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 31' ' ' ILE . . . -81.93 134.01 12.63 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.364 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -83.52 107.93 16.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.27 0.557 . . . . 0.0 110.255 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.16 137.42 40.46 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.844 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -151.28 -169.76 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -36.26 77.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.966 0.413 . . . . 0.0 110.616 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -76.45 -65.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.327 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.32 -33.31 3.68 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.276 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -82.54 54.05 2.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.295 0.569 . . . . 0.0 111.449 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.39 -39.54 25.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.852 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.31 161.43 29.3 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.053 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.449 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . 9.7 pt -98.24 132.14 43.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.143 0.496 . . . . 0.0 111.326 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -118.83 156.46 29.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.731 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.2 mm -75.61 119.34 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.165 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.71 -86.0 1.01 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.205 -0.521 . . . . 0.0 113.189 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -116.49 136.83 52.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.739 0.304 . . . . 0.0 111.449 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.418 HG12 HG22 ' A' ' 17' ' ' ILE . 66.2 mt -94.68 139.22 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.858 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.5 mmt -113.15 124.97 53.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.674 0.273 . . . . 0.0 110.569 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -60.79 130.68 47.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.022 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.49 -15.55 24.64 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.825 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.03 165.05 43.08 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.655 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.63 76.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.747 0.308 . . . . 0.0 111.657 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.6 t -71.82 -37.25 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 110.546 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.78 -17.1 63.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.26 0.552 . . . . 0.0 110.315 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.45 -2.9 55.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.154 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -100.96 -72.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.856 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.44 -21.36 21.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.478 -0.868 . . . . 0.0 114.715 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -71.02 -25.87 62.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.604 0.702 . . . . 0.0 111.584 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mt -93.95 134.22 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -133.02 162.44 57.64 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.93 102.61 0.21 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.675 2.25 . . . . 0.0 111.75 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.16 -21.13 2.98 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.78 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HB3' ' HB ' ' A' ' 88' ' ' VAL . 91.3 m-20 -62.65 140.32 58.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.828 0.347 . . . . 0.0 110.224 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.3 ttt -98.13 133.34 42.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.668 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.4 mt -86.52 122.54 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.281 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' A' ' 89' ' ' ALA . 84.2 mt -102.35 -71.58 0.72 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.97 0.414 . . . . 0.0 110.779 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.74 136.97 53.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.54 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.8 t -130.54 103.31 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.336 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 5.6 m-20 58.87 68.44 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.317 0.386 . . . . 0.0 111.882 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 20.7 m-20 76.33 -52.57 0.6 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.614 0.766 . . . . 0.0 112.856 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.0 m -67.84 130.11 32.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.499 0.666 . . . . 0.0 111.678 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -100.68 133.71 44.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.54 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -105.16 5.81 32.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.814 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -58.63 -36.75 74.58 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -111.93 33.22 4.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.592 0.234 . . . . 0.0 111.452 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 79.9 mtp -122.42 158.28 30.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.852 0.358 . . . . 0.0 110.814 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.08 151.38 46.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.614 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -52.37 -42.98 64.42 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 4.1 m-20 -68.6 -49.02 62.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.026 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -58.54 -42.08 87.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.379 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.24 -43.46 78.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.099 0.476 . . . . 0.0 110.604 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.1 t -71.01 -39.67 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.478 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 80.8 mtt180 -58.86 -49.61 77.09 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.314 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 49.7 t -64.08 -40.88 90.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.169 0.509 . . . . 0.0 110.024 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.09 -41.35 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.155 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -57.64 -37.41 73.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.085 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -66.65 -45.44 78.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.871 0.367 . . . . 0.0 110.555 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.4 mt -67.83 -40.53 83.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.212 0.53 . . . . 0.0 110.78 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.07 -33.36 63.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -87.4 9.61 20.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.394 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -101.72 167.33 10.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.35 74.88 0.92 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.927 0.394 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -158.94 169.53 35.23 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.716 -0.553 . . . . 0.0 111.716 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.66 139.47 69.71 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.576 2.184 . . . . 0.0 111.987 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.2 mt -120.69 116.55 50.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.037 0.446 . . . . 0.0 111.005 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.8 m -102.39 122.93 45.25 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.4 mt -107.43 125.54 51.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.911 0.386 . . . . 0.0 111.548 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.1 97.54 7.62 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 52' ' ' ASP . 34.4 m -99.79 144.98 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.348 0.594 . . . . 0.0 112.324 -177.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.42 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -103.66 111.48 23.98 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.48 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.51 -179.524 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.596 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 84.9 mt -94.78 114.37 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.723 0.297 . . . . 0.0 110.359 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.7 mt -115.21 132.32 64.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.807 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -108.18 112.68 25.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.909 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.1 m -104.27 135.43 42.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.208 0.528 . . . . 0.0 111.721 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -105.77 120.42 41.66 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.2 mt -102.94 152.44 21.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.417 0.627 . . . . 0.0 112.491 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -100.92 110.22 22.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.81 -1.087 . . . . 0.0 109.552 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 98.9 mmm -94.04 11.16 30.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.452 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -77.2 -56.21 4.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.367 0.604 . . . . 0.0 109.537 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -82.06 -36.49 27.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.637 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -86.25 156.88 20.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -116.82 -31.37 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.332 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -132.55 162.49 31.13 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.029 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.23 -36.01 21.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.974 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.472 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 74.45 51.45 8.39 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.366 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 pt -152.19 105.94 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 116.678 0.239 . . . . 0.0 110.701 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.447 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 60.1 p -74.18 129.63 38.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.318 0.58 . . . . 0.0 110.706 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.462 ' H ' ' H19' ' A' ' 91' ' ' SUZ . 9.8 mm -85.58 125.45 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.172 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.9 t -107.65 125.87 64.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.055 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.94 114.29 4.87 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.59 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.471 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 51.1 tt0 -87.04 127.71 35.1 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.522 ' OG ' ' HA2' ' A' ' 27' ' ' GLY . 35.4 t -157.32 131.25 8.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.693 0.282 . . . . 0.0 110.303 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -123.65 -92.87 0.52 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.368 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -101.48 -43.97 5.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.817 0.341 . . . . 0.0 110.516 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.458 ' HB3' ' OD2' ' A' ' 28' ' ' ASP . 16.9 mmt85 -73.88 -56.44 4.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.466 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.522 ' HA2' ' OG ' ' A' ' 23' ' ' SER . . . 113.83 -23.19 13.44 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.272 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.458 ' OD2' ' HB3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -82.02 48.23 1.21 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.913 0.387 . . . . 0.0 111.72 -179.474 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -72.38 -46.49 33.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.387 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.55 171.94 19.2 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.371 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.7 pt -105.66 127.7 60.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.015 0.436 . . . . 0.0 110.6 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 49.3 m-85 -123.01 160.39 26.38 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.862 -178.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.7 mm -80.66 118.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 50' ' ' PRO . . . -87.44 -73.64 1.28 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.872 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 p -124.37 136.99 54.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.03 0.443 . . . . 0.0 111.477 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 mt -97.87 140.93 16.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.72 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.1 mmt -111.32 126.24 54.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.536 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -63.76 132.29 50.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.902 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.75 -14.49 38.19 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.88 162.61 46.92 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.786 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.05 -33.41 68.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.791 0.329 . . . . 0.0 111.71 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.1 t -75.96 -34.65 27.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.31 -17.18 63.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.3 -4.27 58.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.425 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -101.15 -74.01 0.63 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.938 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.69 -23.54 17.21 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.523 -0.846 . . . . 0.0 114.158 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -64.09 -34.82 78.92 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.751 0.776 . . . . 0.0 111.578 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.0 mt -86.66 138.33 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.31 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -136.96 162.0 58.29 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.257 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.471 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 36.4 Cg_exo -61.2 105.0 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.296 1.997 . . . . 0.0 111.699 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.99 -17.47 3.62 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 93.5 m-20 -68.45 141.2 55.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.702 0.287 . . . . 0.0 110.295 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.481 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.2 ttt -99.04 133.72 42.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.789 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.2 mt -87.35 125.85 34.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.901 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.627 HD11 ' HB2' ' A' ' 89' ' ' ALA . 55.3 mt -102.97 -64.02 1.11 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.964 0.411 . . . . 0.0 110.948 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -124.03 139.58 53.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.481 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.481 HG13 HD23 ' A' ' 86' ' ' LEU . 59.3 t -133.46 100.71 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 m120 57.98 75.58 0.37 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.896 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 72.63 -51.76 0.7 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.9 m -71.73 129.35 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.36 0.6 . . . . 0.0 112.32 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -98.44 134.7 41.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.764 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -107.39 1.6 23.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -58.24 -42.22 85.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 111.538 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -103.96 33.85 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.039 0.447 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.8 mtp -125.28 165.18 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.333 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.8 p -76.57 158.31 31.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.202 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -62.73 -35.42 79.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.153 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 1.1 m-20 -70.14 -53.28 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -62.83 -33.18 74.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.149 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.52 -49.02 78.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.995 0.426 . . . . 0.0 110.368 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.458 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 94.8 t -70.32 -34.28 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.355 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 73.5 mtt180 -56.91 -51.88 67.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.66 -39.01 82.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.34 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.77 -41.73 87.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.457 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 31.6 mtp85 -58.99 -38.31 78.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -66.61 -43.19 85.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 110.587 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.2 mt -67.12 -41.11 86.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.104 0.478 . . . . 0.0 110.23 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.6 t -65.26 -31.74 55.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.988 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.6 m -89.46 12.3 16.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -111.15 156.86 20.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.695 0.283 . . . . 0.0 110.312 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.12 93.19 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.945 0.402 . . . . 0.0 111.012 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.89 172.94 45.41 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.024 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.34 116.22 4.52 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.663 2.242 . . . . 0.0 112.524 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.2 mt -92.78 130.1 42.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.686 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 m -120.87 116.92 26.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.037 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.481 HD23 HG13 ' A' ' 57' ' ' VAL . 16.4 mt -106.9 126.28 52.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.497 -178.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.9 m -103.51 110.56 22.65 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.2 m -109.56 157.44 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.627 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -121.35 116.98 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.942 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 20.1 mtpp . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.061 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.572 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 61.9 t30 . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.57 0.224 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.4 mt -92.67 118.8 39.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.14 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.401 HG22 HG13 ' A' ' 5' ' ' VAL . 38.0 mt -115.73 126.61 73.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 m -103.96 117.01 33.29 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.948 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.401 HG13 HG22 ' A' ' 3' ' ' ILE . 35.1 m -121.57 139.0 50.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.03 0.443 . . . . 0.0 111.59 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.7 147.42 28.56 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.524 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 14.1 mt -121.22 157.38 30.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.984 0.421 . . . . 0.0 111.436 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -99.52 106.2 18.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.912 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.7 mmm -89.86 18.78 5.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.406 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -95.43 -42.97 8.21 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -93.14 -14.52 27.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.304 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -120.2 153.75 35.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.293 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -111.17 -26.35 9.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.585 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -134.46 160.95 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.696 0.284 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.0 mt -83.38 -37.29 23.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.802 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.444 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 76.05 49.24 8.79 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.512 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pt -149.83 105.36 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.873 0.337 . . . . 0.0 110.715 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.485 ' CA ' ' H9B' ' A' ' 91' ' ' SUZ . 82.3 p -72.21 133.88 45.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.294 0.568 . . . . 0.0 110.906 -178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mm -90.7 119.4 37.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.196 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -112.03 113.35 43.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.204 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.4 131.63 10.54 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.963 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -86.77 114.06 23.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.902 0.382 . . . . 0.0 110.38 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.6 164.5 12.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.398 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -174.86 -170.05 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -59.8 -44.16 94.09 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -77.47 -70.09 0.49 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.829 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.16 -11.82 7.24 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.683 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -83.25 39.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.173 0.511 . . . . 0.0 111.059 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.07 -37.45 82.52 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.826 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.2 168.81 33.16 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.221 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 pt -104.76 135.36 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.146 0.498 . . . . 0.0 111.275 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 79.3 m-85 -123.66 158.87 30.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.849 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.8 mm -76.15 112.22 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.75 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.19 -75.19 0.75 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.416 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.4 m -133.69 146.36 50.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.712 0.291 . . . . 0.0 110.924 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -102.07 139.25 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.951 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.6 mmt -109.2 129.95 55.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.321 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -67.97 130.8 44.08 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.05 -13.52 24.04 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.86 167.01 43.56 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.841 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.524 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -62.9 -33.1 74.6 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.5 t -67.72 -30.23 47.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 111.026 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.61 -9.92 58.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.47 -15.93 34.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.976 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -96.83 -76.19 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.33 -21.18 20.1 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.437 -0.887 . . . . 0.0 114.06 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -67.39 -24.61 65.7 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 117.682 0.741 . . . . 0.0 111.488 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.6 mt -88.84 135.15 26.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.4 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -133.51 160.34 69.01 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.153 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -62.19 110.56 1.05 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.321 2.014 . . . . 0.0 110.645 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 130.82 -15.14 5.45 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.834 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -68.62 143.2 54.9 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.402 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 49.9 ttp -97.19 133.58 41.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.653 0.263 . . . . 0.0 110.586 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.6 mt -86.11 117.55 25.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.035 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' A' ' 89' ' ' ALA . 48.7 mt -94.75 -69.3 0.76 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.148 0.499 . . . . 0.0 110.913 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.418 ' H ' ' HB ' ' A' ' 87' ' ' THR . 51.4 tt0 -121.84 137.26 54.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.11 -178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.9 t -127.81 104.09 11.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.885 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 12.0 m120 51.86 74.52 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.298 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 66.2 m-20 75.45 -43.87 0.51 Allowed 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 178.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.427 HG11 HG11 ' A' ' 73' ' ' VAL . 2.7 t -75.52 121.81 28.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.126 0.489 . . . . 0.0 111.599 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -97.58 130.59 44.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.744 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -103.53 4.77 36.22 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -57.84 -31.65 66.86 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -118.08 34.85 4.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.754 0.311 . . . . 0.0 111.018 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 79.3 mtp -125.94 161.17 28.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.433 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 81.1 p -75.41 159.56 31.25 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.94 -36.31 79.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.068 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.26 -49.56 63.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.871 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -65.6 -38.88 90.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.664 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.53 -50.47 69.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.514 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.586 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 60.0 t -67.06 -37.68 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.898 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -55.66 -52.01 65.3 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.644 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.427 HG11 HG11 ' A' ' 60' ' ' VAL . 19.9 t -66.07 -40.74 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.434 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.16 -39.59 82.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.627 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 26.2 mtp180 -59.51 -38.86 82.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.015 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.29 -43.7 73.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.444 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.4 mt -65.93 -43.46 92.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.757 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.3 t -63.42 -35.36 72.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.0 m -87.62 9.93 19.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.928 0.395 . . . . 0.0 110.809 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -104.82 142.54 34.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.417 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.2 120.47 25.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.584 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.26 177.77 31.67 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.245 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -78.11 108.13 2.45 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.737 2.291 . . . . 0.0 112.524 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.7 mt -86.31 131.6 34.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.032 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 m -122.11 126.02 47.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.986 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.2 mt -111.5 135.55 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.003 0.43 . . . . 0.0 111.327 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.418 ' HB ' ' H ' ' A' ' 56' ' ' GLN . 1.8 m -109.38 103.8 12.78 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.4 m -103.81 146.26 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.203 0.525 . . . . 0.0 112.291 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.418 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -107.37 114.14 27.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.581 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.224 -0.894 . . . . 0.0 110.089 -179.57 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.579 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 54.1 mt -104.43 128.18 58.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.761 0.315 . . . . 0.0 111.149 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 mt -121.81 126.26 74.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 m -102.02 108.51 19.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 m -112.56 157.4 13.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.917 0.389 . . . . 0.0 111.647 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 t -117.07 140.84 49.0 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.473 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 24.5 mt -115.11 136.16 53.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.99 0.424 . . . . 0.0 111.765 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -86.94 112.18 21.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.472 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.8 mmm -98.5 11.29 38.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.915 0.388 . . . . 0.0 110.996 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.04 -47.65 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.052 0.453 . . . . 0.0 109.813 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -90.72 -15.95 29.35 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -104.5 166.77 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.263 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -124.03 -15.19 6.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.767 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -151.23 166.96 29.29 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.129 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.0 mt -86.29 -38.45 17.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.767 0.318 . . . . 0.0 110.828 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 74.38 52.65 7.35 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.991 -0.624 . . . . 0.0 112.077 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.424 HG21 HG11 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -154.35 106.99 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 116.867 0.334 . . . . 0.0 110.826 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.419 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 85.0 p -72.72 130.04 39.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.103 0.478 . . . . 0.0 110.457 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.532 ' H ' ' H19' ' A' ' 91' ' ' SUZ . 10.3 mm -90.35 124.21 42.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.9 t -111.25 126.56 68.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.354 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.67 120.3 6.62 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.389 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -74.96 105.56 6.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.017 0.437 . . . . 0.0 110.397 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -93.83 148.39 22.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.355 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -163.63 -160.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.45 -48.6 69.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.55 0.214 . . . . 0.0 111.176 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -71.49 -59.9 2.52 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.4 -21.81 9.11 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.422 -0.894 . . . . 0.0 113.316 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -87.64 51.79 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.858 0.837 . . . . 0.0 110.68 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.95 -23.13 69.93 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.998 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.03 166.19 42.1 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.833 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.4 pt -101.94 135.5 38.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.167 0.508 . . . . 0.0 111.116 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -124.01 161.36 25.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.622 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.2 mm -81.53 116.92 26.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.822 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.48 -73.65 0.96 Allowed Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.551 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.9 m -140.67 150.69 43.82 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 122.768 -0.254 . . . . 0.0 110.812 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 49' ' ' GLU . 30.5 mt -98.1 141.79 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.512 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.6 mmt -109.99 119.72 40.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.128 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -56.17 127.28 29.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.255 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.3 -19.29 20.09 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.996 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.93 168.95 54.42 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.799 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -61.55 -35.55 78.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.634 0.254 . . . . 0.0 111.363 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.424 HG11 HG21 ' A' ' 17' ' ' ILE . 74.6 t -74.19 -34.48 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.403 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.88 -28.02 69.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.169 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.88 -21.76 40.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.661 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -77.41 -73.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.609 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.56 -19.45 47.74 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.675 -0.774 . . . . 0.0 114.141 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -73.25 -28.1 61.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.767 0.784 . . . . 0.0 110.32 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.0 mt -91.59 139.24 18.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.538 ' HA ' HD11 ' A' ' 36' ' ' ILE . 10.0 pt-20 -146.58 162.2 35.01 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.815 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.96 117.8 4.27 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.64 2.226 . . . . 0.0 111.846 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.54 -18.15 8.23 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.623 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -68.95 145.3 53.74 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.414 ' O ' ' HA ' ' A' ' 88' ' ' VAL . 27.3 ttt -100.22 137.78 38.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.817 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.2 mt -94.01 122.51 36.58 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 89' ' ' ALA . 51.7 mt -104.05 -74.79 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.014 0.435 . . . . 0.0 110.94 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -110.65 135.73 50.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.444 ' O ' HG22 ' A' ' 60' ' ' VAL . 77.6 t -129.37 97.5 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.01 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.484 ' OD1' ' HA ' ' A' ' 84' ' ' ILE . 5.0 m120 60.17 72.6 0.52 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.768 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 1.4 m-20 72.9 -45.63 0.63 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 57' ' ' VAL . 17.2 m -75.28 135.04 28.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.444 0.64 . . . . 0.0 111.461 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -103.14 138.08 40.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.861 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -111.1 4.36 19.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.746 0.308 . . . . 0.0 111.592 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -58.4 -34.11 70.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.266 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -117.21 36.66 4.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.028 0.442 . . . . 0.0 111.011 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.0 mtp -131.26 153.78 49.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.724 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.05 145.87 49.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.66 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -55.27 -46.8 76.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 110.812 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -39.91 87.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -66.93 -34.93 78.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.432 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.63 98.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.11 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.551 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 88.7 t -64.03 -37.84 80.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.122 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -56.61 -51.14 69.81 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.96 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.1 t -68.53 -37.75 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.118 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.471 ' CD2' HG13 ' A' ' 19' ' ' ILE . 45.2 tp -58.45 -43.37 88.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.54 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 3.0 mtp180 -58.24 -37.75 75.5 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.815 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 66.4 mm-40 -63.49 -43.96 95.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.559 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.6 mt -69.66 -41.36 80.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.63 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 t -64.84 -38.68 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.7 m -89.76 15.98 8.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.252 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.556 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -119.06 156.75 29.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.742 0.306 . . . . 0.0 110.177 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.34 145.43 26.33 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.322 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.35 173.25 13.26 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.57 131.56 11.54 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.475 2.117 . . . . 0.0 111.593 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.484 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 97.2 mt -99.74 122.36 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.752 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.1 m -107.37 113.16 26.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.917 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 mt -104.38 125.08 50.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.474 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.7 m -105.78 96.99 6.88 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 53' ' ' MET . 15.5 m -101.26 144.08 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.316 0.579 . . . . 0.0 112.474 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.47 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -110.24 114.45 27.94 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.403 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.308 -179.351 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.616 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 43.4 t30 . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.828 0.346 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 37.2 mt -98.52 126.43 51.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.921 0.391 . . . . 0.0 110.809 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -121.8 131.4 73.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.382 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.8 m -105.51 106.36 16.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.15 0.5 . . . . 0.0 110.574 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.4 m -106.12 157.14 6.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.672 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 85' ' ' SER . 0.7 OUTLIER -121.03 143.34 49.11 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.469 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.531 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 28.5 mt -114.65 137.69 51.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.704 0.288 . . . . 0.0 111.145 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.442 ' OD1' ' HB2' ' A' ' 10' ' ' GLU . 27.2 t-20 -85.31 108.67 17.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.862 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.2 mmm -87.29 12.21 12.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.16 0.505 . . . . 0.0 111.403 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 55.0 mm-40 -84.12 -55.59 4.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -84.64 -23.11 29.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.653 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -112.72 140.03 47.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.634 0.254 . . . . 0.0 110.548 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -100.71 -23.71 14.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.044 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -130.44 154.03 48.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.134 0.492 . . . . 0.0 110.619 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.408 HD21 HD12 ' A' ' 84' ' ' ILE . 14.5 mt -80.95 -36.97 30.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.487 -178.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.448 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 77.33 50.74 6.5 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.392 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pt -151.22 102.94 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.912 0.356 . . . . 0.0 110.716 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.478 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 81.6 p -75.47 121.28 22.11 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.163 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.7 mm -78.15 131.41 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.582 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.8 t -113.44 122.38 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.753 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.65 120.19 5.6 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.435 -0.888 . . . . 0.0 111.886 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -83.1 114.35 21.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.876 0.369 . . . . 0.0 110.194 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.7 m -107.71 170.34 8.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.566 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -174.61 -161.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.34 -35.35 79.22 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.447 ' HB3' ' OD1' ' A' ' 28' ' ' ASP . 22.0 mmt85 -82.75 -60.06 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.48 -23.36 10.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.606 -0.807 . . . . 0.0 113.482 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.447 ' OD1' ' HB3' ' A' ' 26' ' ' ARG . 2.8 p-10 -79.7 47.36 0.84 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.133 0.492 . . . . 0.0 111.548 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.34 -38.12 53.53 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.494 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.41 168.17 26.69 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.354 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 pt -100.82 130.13 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.13 0.491 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.468 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 39.6 m-85 -120.13 157.75 28.33 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.805 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.3 mm -76.38 111.81 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.672 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.24 -66.28 2.06 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.795 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -146.15 152.87 39.96 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.637 -0.331 . . . . 0.0 111.0 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -103.96 137.41 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.395 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.4 mmt -101.32 125.34 47.94 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -61.51 122.81 16.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.464 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.31 -15.13 20.56 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.766 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.2 167.02 54.06 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.639 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.95 -33.6 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.5 t -74.2 -34.8 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.38 . . . . 0.0 110.432 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.86 -15.43 63.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.105 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.27 -21.9 27.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.956 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -84.68 -76.52 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.58 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.19 -23.61 12.47 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.409 -0.901 . . . . 0.0 114.188 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -69.21 -32.99 72.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.684 0.742 . . . . 0.0 111.169 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.418 HG12 HG21 ' A' ' 88' ' ' VAL . 35.7 mt -85.16 133.94 28.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -137.33 162.05 57.42 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.784 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.87 111.12 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.478 2.118 . . . . 0.0 111.336 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.5 -13.56 6.54 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.138 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.414 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 89.6 m-20 -69.41 145.14 53.08 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.468 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.5 ttt -99.62 130.15 45.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.617 0.246 . . . . 0.0 111.151 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.9 mt -85.45 121.77 28.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.335 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 89' ' ' ALA . 58.3 mt -104.45 -60.77 1.54 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.187 0.518 . . . . 0.0 111.171 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -126.2 135.1 51.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.66 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.486 ' O ' HG22 ' A' ' 60' ' ' VAL . 85.4 t -131.13 101.0 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.108 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 62.4 61.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.964 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 74.78 -40.59 0.45 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.724 -1.125 . . . . 0.0 113.781 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 57' ' ' VAL . 33.4 m -71.29 129.73 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.325 0.583 . . . . 0.0 110.7 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -97.25 127.99 43.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.016 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -98.24 -5.35 33.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.713 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.57 -22.66 66.52 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.852 0.358 . . . . 0.0 111.437 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -111.71 30.91 6.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.903 0.382 . . . . 0.0 110.726 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.4 mtp -134.79 170.4 15.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.354 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.8 p -82.6 164.22 20.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -61.87 -32.0 72.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.359 0.599 . . . . 0.0 109.867 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 6.2 m-20 -74.06 -53.01 10.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.379 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -58.93 -39.29 81.14 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.643 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.45 -47.28 79.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.034 0.445 . . . . 0.0 110.993 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.78 -39.48 77.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.04 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 86.8 mtt180 -55.3 -50.4 69.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.9 t -70.29 -39.14 76.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.821 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.6 tp -56.48 -42.76 78.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.934 0.397 . . . . 0.0 110.52 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -57.23 -35.67 69.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.575 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 19.9 mm-40 -69.29 -36.21 76.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 111.282 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.7 mt -78.37 -39.64 24.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.211 0.529 . . . . 0.0 110.428 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.68 -37.38 79.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.01 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -92.9 23.0 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.898 0.38 . . . . 0.0 110.926 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 3.8 tp-100 -117.4 149.21 40.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.999 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 121.15 24.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.273 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.82 154.51 6.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.838 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.84 140.84 82.11 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.682 2.255 . . . . 0.0 112.536 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.408 HD12 HD21 ' A' ' 15' ' ' LEU . 36.2 mt -116.03 121.72 68.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 52.9 m -100.95 130.93 47.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.686 179.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.5 mt -113.78 118.45 34.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.021 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m -96.96 97.96 9.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.418 HG21 HG12 ' A' ' 48' ' ' ILE . 5.0 m -103.3 144.29 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.471 0.653 . . . . 0.0 112.528 -178.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.713 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -106.3 121.84 45.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.746 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 22.6 mtpp . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.242 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.615 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 46.3 t30 . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.728 0.299 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.4 mt -93.83 123.4 45.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 110.946 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 mt -126.05 141.37 45.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.318 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 m -118.12 111.16 18.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.62 0.248 . . . . 0.0 110.482 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.78 146.49 22.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.921 0.391 . . . . 0.0 111.017 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 85' ' ' SER . 57.7 m -112.05 129.54 56.18 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.466 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 15.3 mt -105.6 144.44 32.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.298 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.474 HD21 ' HB2' ' A' ' 10' ' ' GLU . 13.8 t-20 -87.81 116.81 26.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.238 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 87.7 mmm -97.12 11.65 35.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.127 0.489 . . . . 0.0 111.254 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.474 ' HB2' HD21 ' A' ' 8' ' ' ASN . 60.8 mm-40 -83.11 -46.54 12.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.761 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -93.26 -12.32 30.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.403 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -110.89 152.22 26.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -109.16 -36.15 6.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.386 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -129.6 163.41 26.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.632 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.3 mt -86.1 -32.4 21.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.048 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.451 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 70.56 53.15 13.26 Favored Glycine 0 C--O 1.226 -0.39 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.789 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.509 ' H ' ' H11' ' A' ' 91' ' ' SUZ . 2.4 pt -150.46 103.73 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 116.852 0.326 . . . . 0.0 111.169 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.47 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 95.2 p -72.16 120.43 17.76 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.541 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.3 mm -81.3 130.5 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.499 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.7 t -122.42 111.75 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.11 125.11 6.77 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.382 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -78.1 123.16 26.54 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.17 160.06 21.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.776 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -172.5 -160.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.036 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.55 -42.86 97.44 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.161 0.288 . . . . 0.0 111.66 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -79.88 -67.47 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.196 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.9 -26.3 4.52 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.229 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -79.09 54.97 1.72 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.371 0.605 . . . . 0.0 111.536 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 -34.71 24.44 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.795 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.76 160.54 34.1 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.553 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 pt -93.74 133.0 36.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 0.0 110.993 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -120.17 157.93 28.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.5 mm -79.31 116.3 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 50' ' ' PRO . . . -80.4 -67.67 1.54 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.84 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.14 147.04 36.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.475 0.179 . . . . 0.0 110.71 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 49' ' ' GLU . 24.8 mt -100.36 137.18 28.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.215 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 16.1 mmt -104.43 133.51 49.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.344 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -61.91 136.73 58.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.643 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.15 -13.09 60.41 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.983 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.1 162.99 46.83 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.78 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.71 -37.64 82.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.683 0.278 . . . . 0.0 111.569 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.78 -32.59 41.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.169 0.509 . . . . 0.0 110.731 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.5 -25.74 66.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.309 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.48 4.63 30.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.661 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -100.66 -80.94 0.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.505 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.34 -26.17 6.12 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.579 -0.819 . . . . 0.0 113.588 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -77.4 -37.7 51.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.128 0.464 . . . . 0.0 111.512 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.0 mt -81.22 135.96 24.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HA ' HD11 ' A' ' 36' ' ' ILE . 8.3 pt-20 -144.85 165.04 24.2 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.538 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 50.3 Cg_exo -56.05 125.4 18.96 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.273 1.982 . . . . 0.0 111.424 178.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.35 -15.76 15.1 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.588 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.421 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 98.1 m-20 -71.52 140.56 49.96 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.424 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 27.8 ttt -97.99 130.47 44.83 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 mt -86.97 124.22 32.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.771 0.32 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.521 HD11 ' HB2' ' A' ' 89' ' ' ALA . 34.1 mt -108.3 -77.59 0.6 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.893 0.377 . . . . 0.0 111.133 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.44 ' H ' ' HB ' ' A' ' 87' ' ' THR . 4.3 tt0 -103.03 127.06 50.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.036 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.465 ' O ' HG22 ' A' ' 60' ' ' VAL . 97.1 t -123.86 95.9 3.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 1.6 m-20 59.74 69.75 0.69 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.906 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 78.3 m-20 78.34 -52.74 0.49 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.986 0.914 . . . . 0.0 113.169 178.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 57' ' ' VAL . 16.1 m -67.27 140.1 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.117 0.484 . . . . 0.0 111.607 -178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -116.04 140.12 49.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.779 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -106.95 8.65 30.63 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.53 -38.99 78.92 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -109.88 32.14 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.277 0.561 . . . . 0.0 110.914 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.7 mtp -129.92 149.9 51.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.249 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.88 152.75 45.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.361 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -55.84 -43.2 76.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.9 0.381 . . . . 0.0 110.724 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.64 -51.81 65.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.347 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 8.6 m-20 -63.75 -39.42 94.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.844 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.73 76.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.771 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.585 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 94.0 t -66.21 -41.39 89.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.232 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' A' ' 69' ' ' ASP . 89.6 mtt180 -55.1 -48.47 73.52 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.61 -40.85 82.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.671 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.9 tp -57.5 -43.22 84.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.813 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 13.3 mtp85 -60.45 -35.28 75.49 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.157 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 25.9 mm-40 -66.9 -42.88 84.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.815 0.34 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 38.7 mt -72.55 -40.0 62.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.556 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.6 -38.98 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.053 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.1 m -89.9 24.98 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.899 0.38 . . . . 0.0 111.261 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 1.5 tp-100 -127.36 150.39 49.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.294 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.49 152.28 37.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.866 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.84 154.16 10.01 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.623 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.07 142.14 79.67 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.927 2.418 . . . . 0.0 112.029 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.6 mt -117.65 121.81 68.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.995 0.426 . . . . 0.0 110.832 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 23.7 m -101.26 117.99 36.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.781 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.8 mt -103.78 121.3 42.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.328 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.44 ' HB ' ' H ' ' A' ' 56' ' ' GLN . 2.8 m -96.64 99.06 10.7 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 177.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.6 m -97.04 149.48 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.379 0.609 . . . . 0.0 112.08 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.521 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -116.24 112.38 21.52 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.306 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.421 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 23.8 mtpp . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.392 -0.813 . . . . 0.0 110.232 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.596 ' O3 ' ' H9 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 61.5 mt -97.17 132.12 42.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.546 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.7 mt -126.07 133.26 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.923 0.392 . . . . 0.0 110.908 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.66 108.37 18.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.925 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.5 m -112.43 156.35 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.876 0.369 . . . . 0.0 111.203 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 t -112.8 143.18 44.48 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.65 141.33 46.56 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.088 0.471 . . . . 0.0 111.519 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.445 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 26.1 t-20 -87.79 100.63 13.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.3 mmm -87.33 4.0 44.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.587 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -73.89 -60.43 2.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.577 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.43 -42.77 22.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.341 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 20.7 m80 -79.11 145.9 33.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.37 -179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -101.29 -21.33 14.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.656 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -145.64 173.87 11.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 111.287 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.465 HD11 HG22 ' A' ' 78' ' ' VAL . 13.2 mt -88.86 -42.71 11.7 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.494 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.461 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 79.44 46.91 7.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.23 -0.509 . . . . 0.0 112.844 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 pt -148.35 106.18 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.486 ' CA ' ' H9B' ' A' ' 91' ' ' SUZ . 76.7 p -71.72 136.46 47.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.378 0.609 . . . . 0.0 111.03 -178.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.439 ' H ' ' H19' ' A' ' 91' ' ' SUZ . 21.9 mm -92.03 127.86 44.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.34 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -114.84 112.84 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.738 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.3 104.62 2.73 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.047 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.618 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 61.4 tt0 -64.81 118.67 9.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.198 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -106.96 153.43 22.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.946 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -155.16 -175.34 5.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.4 -37.15 86.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.686 0.279 . . . . 0.0 111.182 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -77.13 -68.06 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.341 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.72 -29.82 1.84 Allowed Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.193 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -79.51 76.16 6.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.618 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -92.36 -63.97 1.12 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.307 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.35 147.96 9.27 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.15 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 pt -89.63 123.61 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.259 0.552 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.479 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 43.0 m-85 -114.94 157.37 23.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.462 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.8 mm -79.63 111.26 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.376 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.39 -80.3 0.51 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.912 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.42 146.46 50.47 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.788 0.327 . . . . 0.0 110.896 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 49' ' ' GLU . 35.2 mt -98.35 142.43 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.1 mmt -111.74 128.13 56.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.917 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -65.94 118.39 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.107 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.4 -11.95 8.47 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.13 169.74 44.33 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.12 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 12' ' ' HIS . . . -64.69 -36.81 85.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.56 -32.15 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.982 0.42 . . . . 0.0 111.08 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.69 -4.64 24.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.039 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.41 9.73 27.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.477 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -108.79 -67.06 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.266 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.98 -17.76 41.0 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.493 -0.86 . . . . 0.0 114.699 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -78.91 -32.32 45.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 117.961 0.88 . . . . 0.0 111.556 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.1 mt -89.44 135.91 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.505 ' HA ' HD11 ' A' ' 36' ' ' ILE . 9.3 pt-20 -142.41 163.32 39.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.442 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.14 125.59 19.67 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.339 2.026 . . . . 0.0 111.75 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.44 -14.57 18.03 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.903 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 95.3 m-20 -74.14 146.62 43.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.479 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 26.9 ttt -105.39 137.97 42.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.491 0.186 . . . . 0.0 110.612 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.8 mt -88.52 119.47 29.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 89' ' ' ALA . 70.2 mt -97.05 -67.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.099 0.476 . . . . 0.0 110.605 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -120.88 132.87 55.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.066 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.428 HG13 HD23 ' A' ' 86' ' ' LEU . 57.3 t -125.88 98.29 4.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.817 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 1.4 m-20 60.43 61.3 1.79 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.573 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.481 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 34.6 m-20 81.38 -45.18 0.2 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.21 1.004 . . . . 0.0 113.489 178.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.4 m -70.31 127.03 31.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.573 0.701 . . . . 0.0 110.775 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -97.58 133.62 41.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.413 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -109.29 5.03 23.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -61.26 -36.4 79.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.877 0.37 . . . . 0.0 111.267 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -110.91 36.27 3.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.929 0.395 . . . . 0.0 110.918 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 90.2 mtp -130.72 153.81 48.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.222 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.95 155.46 40.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.334 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -53.79 -47.27 70.95 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.026 0.441 . . . . 0.0 110.943 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.84 -51.96 67.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.164 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -59.97 -39.18 84.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.656 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.54 -47.53 83.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.057 0.456 . . . . 0.0 110.37 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.446 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 94.8 t -67.29 -38.19 80.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.57 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -58.28 -51.08 71.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.362 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.11 -41.18 91.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.819 0.343 . . . . 0.0 110.474 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.57 -42.07 87.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.551 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 33.5 mtp85 -58.71 -37.39 75.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -67.85 -36.84 81.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.989 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.7 mt -75.34 -41.32 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.284 0.564 . . . . 0.0 110.198 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.465 HG22 HD11 ' A' ' 15' ' ' LEU . 40.4 t -63.67 -33.94 64.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.204 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m -94.24 24.56 4.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.143 0.497 . . . . 0.0 110.659 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -120.33 177.27 5.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.268 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.19 127.54 55.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.518 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.87 158.73 7.76 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.938 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.37 124.97 14.18 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.718 2.279 . . . . 0.0 111.814 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.26 122.93 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.08 0.467 . . . . 0.0 111.139 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.43 123.75 46.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.924 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.428 HD23 HG13 ' A' ' 57' ' ' VAL . 95.0 mt -109.34 118.83 37.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.748 -178.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -100.23 95.3 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.6 m -96.41 145.78 8.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -108.47 115.94 31.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.903 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 22.5 mtpp . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.559 -0.734 . . . . 0.0 109.763 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.597 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.574 0.226 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 mt -93.76 122.2 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.79 0.329 . . . . 0.0 110.292 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 mt -116.43 135.75 55.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.816 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 m -110.41 115.63 29.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.746 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.8 m -120.75 145.37 27.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.01 0.433 . . . . 0.0 111.338 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.3 t -102.13 140.85 35.86 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.0 mt -117.77 129.89 55.96 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.919 0.39 . . . . 0.0 111.742 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -80.22 112.75 17.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.025 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mmm -98.39 15.77 23.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.985 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -83.71 -56.5 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -85.24 -19.9 30.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.31 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -99.41 145.98 26.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.561 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -113.15 -6.11 13.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.919 0.39 . . . . 0.0 110.38 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -156.27 161.99 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.131 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.535 HD21 HD12 ' A' ' 84' ' ' ILE . 60.1 mt -87.14 -35.1 18.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.346 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.471 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 72.67 53.28 8.54 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.769 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.417 ' H ' ' H11' ' A' ' 91' ' ' SUZ . 1.1 pt -154.67 104.99 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.973 0.387 . . . . 0.0 110.707 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.44 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 87.8 p -74.53 127.82 34.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.264 0.554 . . . . 0.0 110.649 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.7 mm -83.58 130.03 36.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.27 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.0 t -121.33 117.03 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.735 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.14 129.45 9.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.566 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -80.48 112.84 18.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.955 0.407 . . . . 0.0 110.126 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -98.81 151.65 20.58 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.171 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -163.57 -162.4 0.72 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -61.74 -48.97 78.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.641 0.258 . . . . 0.0 110.739 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -80.46 -50.97 9.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.789 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.54 13.78 25.3 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.827 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -100.25 26.9 6.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.99 0.424 . . . . 0.0 110.482 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.0 -43.16 97.08 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.35 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.23 166.16 28.85 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.245 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.0 pt -98.05 134.84 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.187 0.518 . . . . 0.0 111.383 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -124.55 161.44 26.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.501 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.1 mm -78.28 119.25 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.953 178.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.46 -80.59 1.12 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.627 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.3 m -124.2 146.8 48.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.979 0.418 . . . . 0.0 111.397 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.464 HD11 ' HA ' ' A' ' 49' ' ' GLU . 43.4 mt -102.24 143.85 14.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.214 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.3 mmt -112.07 131.98 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -62.62 134.52 56.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.569 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.77 -7.93 63.37 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.106 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.68 160.62 49.07 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.358 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.46 73.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.796 0.332 . . . . 0.0 111.363 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.5 t -71.15 -39.65 73.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 120.932 0.396 . . . . 0.0 110.769 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.3 69.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.276 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.2 -18.8 60.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -92.13 -64.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.973 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.9 -14.17 61.74 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.642 -0.79 . . . . 0.0 114.521 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -72.45 -25.83 61.6 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 117.852 0.826 . . . . 0.0 111.75 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.6 mt -94.86 134.43 32.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HA ' HD11 ' A' ' 36' ' ' ILE . 10.9 pt-20 -137.87 166.81 23.4 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.911 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.75 137.15 77.55 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.303 2.002 . . . . 0.0 111.897 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.57 -15.03 61.54 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.787 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -67.07 141.29 57.54 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.3 ttt -95.02 123.76 38.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.459 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 mt -86.93 112.94 22.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' A' ' 89' ' ' ALA . 40.8 mt -94.87 -61.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.89 0.376 . . . . 0.0 111.685 -178.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -124.52 139.8 53.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.83 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.0 t -133.17 100.71 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.661 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 m120 62.29 67.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.382 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 73.47 -54.22 0.69 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.133 0.973 . . . . 0.0 113.314 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.5 m -63.01 119.34 6.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.55 0.691 . . . . 0.0 111.256 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -93.9 138.01 32.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.03 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -110.01 9.28 24.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.629 0.252 . . . . 0.0 111.464 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.56 -27.98 69.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.973 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -118.63 27.76 8.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.0 110.606 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 92.3 mtp -118.46 161.25 20.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.362 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.97 151.9 41.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.135 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -52.55 -49.63 64.5 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.357 0.411 . . . . 0.0 111.681 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.56 -49.6 76.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.654 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -38.9 88.49 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.224 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.22 -46.61 85.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.096 0.474 . . . . 0.0 110.185 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.7 t -66.38 -38.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.464 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 72' ' ' ARG . 62.9 mtt180 -58.12 -51.6 69.02 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.264 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.98 -42.38 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.47 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.8 tp -58.3 -41.27 84.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.064 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -58.58 -42.98 89.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.189 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -61.96 -39.38 91.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.42 -44.02 63.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.768 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.1 t -63.82 -33.48 62.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.332 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 m -88.14 8.11 28.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.309 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.24 160.16 16.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.939 0.399 . . . . 0.0 110.606 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 m -89.11 132.26 34.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.06 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.7 160.08 8.77 Favored Glycine 0 N--CA 1.452 -0.269 0 N-CA-C 111.911 -0.475 . . . . 0.0 111.911 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.5 138.78 67.0 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.989 2.459 . . . . 0.0 112.331 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.535 HD12 HD21 ' A' ' 15' ' ' LEU . 20.2 mt -105.77 128.15 60.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.5 m -103.11 110.97 23.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.184 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.0 mt -102.78 129.11 49.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.062 0.458 . . . . 0.0 111.331 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.15 101.25 8.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.9 m -106.36 147.78 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.286 0.565 . . . . 0.0 112.222 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.697 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -111.14 110.87 21.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.478 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.246 -179.343 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.577 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.3 t30 . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.6 mt -97.6 125.63 50.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.89 0.376 . . . . 0.0 110.454 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.7 mt -123.89 131.9 72.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.136 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -106.79 117.02 32.96 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.2 m -114.22 145.84 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.763 0.316 . . . . 0.0 111.423 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 t -107.55 128.42 54.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 29.0 mt -108.04 155.7 20.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.115 0.483 . . . . 0.0 111.564 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -99.88 113.17 25.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.619 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 98.8 mmm -95.96 20.53 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.585 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -99.06 -58.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -72.66 -28.83 62.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.252 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -105.75 155.35 19.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.613 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -117.19 -30.65 5.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.622 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -126.87 154.68 44.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.008 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.1 mt -78.78 -35.19 44.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.77 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.41 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 74.43 50.37 9.97 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.395 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 pt -152.65 107.16 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.47 ' CA ' ' H9B' ' A' ' 91' ' ' SUZ . 60.1 p -71.17 137.36 48.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.347 0.594 . . . . 0.0 110.959 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.614 ' H ' ' H19' ' A' ' 91' ' ' SUZ . 6.6 mm -94.07 119.52 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.081 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.5 t -114.07 116.52 52.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.96 137.18 13.74 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.437 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -95.85 114.61 26.35 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -123.02 104.37 9.18 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.994 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -102.7 -151.27 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -62.52 -43.21 99.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.01 0.433 . . . . 0.0 110.442 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -70.37 -61.42 1.78 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.306 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.38 -37.83 2.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.53 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -81.06 68.51 7.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.366 0.603 . . . . 0.0 110.95 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.04 -24.25 25.37 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.328 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.2 172.09 36.9 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.613 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 pt -112.51 132.76 60.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.038 0.447 . . . . 0.0 110.594 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -121.29 155.93 33.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.621 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.6 mm -72.71 124.54 29.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.131 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.75 -82.88 1.02 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.147 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.57 145.84 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.57 0.224 . . . . 0.0 110.72 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.414 HD11 ' HA ' ' A' ' 49' ' ' GLU . 28.9 mt -100.04 128.55 51.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.035 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.0 mmt -98.28 127.31 44.15 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.598 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -64.28 139.36 58.76 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.567 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.4 -9.99 61.13 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.366 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.02 168.69 47.31 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.337 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -62.18 -37.68 86.2 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.1 t -73.79 -33.53 37.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.877 0.37 . . . . 0.0 110.936 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.57 -19.92 65.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.393 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.97 -16.22 30.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.892 0.377 . . . . 0.0 110.986 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.453 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 10.1 t70 -89.82 -64.92 1.07 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.013 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.84 -15.37 63.2 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.562 -0.828 . . . . 0.0 114.347 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' HB2' ' OD1' ' A' ' 45' ' ' ASP . 67.0 mtm180 -69.52 -24.29 63.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.857 0.829 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 54.8 mt -96.93 137.88 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' HA ' HD11 ' A' ' 36' ' ' ILE . 10.1 pt-20 -138.65 161.71 57.05 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.557 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.96 124.45 16.31 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.329 2.019 . . . . 0.0 111.547 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.04 -19.84 17.52 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.661 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -64.29 133.46 52.76 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.8 ttt -91.1 131.72 36.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.299 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.9 mt -83.85 121.92 28.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.931 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.602 HD11 ' HB2' ' A' ' 89' ' ' ALA . 47.3 mt -107.17 -68.15 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.167 0.508 . . . . 0.0 110.731 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.426 ' H ' ' HB ' ' A' ' 87' ' ' THR . 10.5 tt0 -111.66 123.23 49.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.822 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.556 ' O ' HG22 ' A' ' 60' ' ' VAL . 77.7 t -117.16 106.39 20.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.987 0.422 . . . . 0.0 110.67 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.422 ' OD1' ' HA ' ' A' ' 84' ' ' ILE . 2.1 t30 55.61 60.66 3.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.464 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.6 t0 78.5 -36.96 0.2 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 57' ' ' VAL . 7.5 m -79.4 141.64 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.239 0.543 . . . . 0.0 111.014 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -102.85 139.74 38.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.263 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -116.63 4.31 13.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.399 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -56.24 -35.03 66.92 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -107.8 20.04 19.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 93.5 mtp -116.11 164.22 14.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.0 p -75.67 158.92 31.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.549 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -59.81 -41.19 90.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.11 0.481 . . . . 0.0 110.247 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.0 -51.64 67.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.999 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -65.63 -36.9 85.04 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.555 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.43 -48.15 77.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.916 0.389 . . . . 0.0 110.328 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.66 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 93.2 t -67.64 -39.15 81.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.417 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -55.16 -48.82 73.2 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.586 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 36.6 t -68.29 -40.5 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 0.0 110.216 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.451 HD13 HG11 ' A' ' 57' ' ' VAL . 26.7 tp -58.63 -39.71 81.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.554 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 41.3 mtp85 -56.56 -45.29 81.37 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.418 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 73.6 mm-40 -66.01 -40.53 91.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.158 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.23 -42.73 88.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.072 0.463 . . . . 0.0 110.808 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.1 t -67.6 -35.08 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.307 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.2 m -91.56 19.36 6.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.413 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 1.5 tp-100 -118.25 147.26 43.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.37 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.01 125.45 28.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.324 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.03 156.33 6.74 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.59 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.33 143.75 48.97 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.422 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 69.8 mt -118.18 127.2 75.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.552 -178.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 51.0 m -102.93 123.62 46.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.504 178.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.8 mt -107.95 129.08 55.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.958 0.408 . . . . 0.0 111.679 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.426 ' HB ' ' H ' ' A' ' 56' ' ' GLN . 1.3 m -108.11 103.71 12.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.159 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 m -108.0 150.41 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.32 0.581 . . . . 0.0 112.415 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.602 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -107.6 109.33 20.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.163 178.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.358 -0.829 . . . . 0.0 109.832 -179.818 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.614 ' H19' ' H ' ' A' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 66.4 t30 . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.8 mt -95.92 122.83 47.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.984 0.421 . . . . 0.0 110.588 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.7 mt -120.14 128.32 75.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.04 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -107.41 124.07 49.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.112 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 85' ' ' SER . 18.0 m -118.72 145.28 24.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.076 0.465 . . . . 0.0 111.737 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.21 115.76 30.72 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.525 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 36.6 mt -99.21 145.6 27.07 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.565 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -96.73 119.66 35.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.424 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.6 mmm -99.94 13.59 33.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.951 0.405 . . . . 0.0 111.397 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -83.89 -51.17 7.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -86.08 -30.46 22.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.55 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -97.03 144.86 26.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.231 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -108.6 -13.61 14.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.441 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -146.54 162.06 39.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.189 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.6 mt -84.02 -36.99 22.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.167 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.484 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 74.43 53.81 6.5 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.995 -0.548 . . . . 0.0 113.036 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -157.85 107.91 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 122.494 0.317 . . . . 0.0 110.559 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.455 ' CA ' ' H9B' ' A' ' 91' ' ' SUZ . 95.1 p -75.46 130.34 38.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.153 0.501 . . . . 0.0 110.302 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.1 mm -83.81 130.22 36.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.434 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.5 t -121.61 114.49 43.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.934 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.74 132.87 11.42 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.946 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.407 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 62.4 tt0 -85.43 116.13 23.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.819 0.342 . . . . 0.0 110.232 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.2 m -98.25 164.64 12.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.09 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -172.94 -175.25 1.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.53 -24.13 66.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.304 0.573 . . . . 0.0 109.718 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -84.87 -76.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.626 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.57 -31.75 2.55 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.839 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -80.37 53.18 1.75 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.391 0.615 . . . . 0.0 111.436 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -77.52 -33.6 42.74 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.173 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.98 174.45 39.41 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.074 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 pt -111.74 131.35 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.112 0.482 . . . . 0.0 111.524 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -117.82 165.82 13.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.448 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.62 118.67 32.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.739 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -79.4 -76.94 0.94 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.652 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 m -132.07 143.8 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.523 -0.398 . . . . 0.0 110.97 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.751 HD11 ' HA ' ' A' ' 49' ' ' GLU . 66.2 mt -91.48 141.6 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.383 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 17.9 mmt -106.7 122.52 46.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.137 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -59.62 120.93 10.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.751 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.14 -6.67 28.88 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.248 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.42 166.28 45.56 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.573 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -59.9 -37.44 79.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.683 0.277 . . . . 0.0 111.673 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.423 ' CG1' ' HB ' ' A' ' 48' ' ' ILE . 98.6 t -72.15 -34.92 51.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.022 0.439 . . . . 0.0 110.82 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.42 -23.6 67.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.6 -23.0 40.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.354 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -81.39 -65.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.81 -17.75 54.04 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.37 -0.919 . . . . 0.0 114.491 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -76.23 -21.46 56.36 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.021 0.91 . . . . 0.0 111.882 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.423 ' HB ' ' CG1' ' A' ' 42' ' ' VAL . 32.7 mt -96.13 133.44 37.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.764 0.316 . . . . 0.0 110.151 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.751 ' HA ' HD11 ' A' ' 36' ' ' ILE . 8.4 pt-20 -142.82 165.21 27.73 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.17 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -53.3 126.39 21.49 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.359 2.039 . . . . 0.0 111.759 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.05 -20.36 16.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.328 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 95.3 m-20 -68.28 136.81 54.05 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.1 ttt -97.98 130.35 44.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.756 0.312 . . . . 0.0 111.581 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.7 mt -82.61 108.69 16.19 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 89' ' ' ALA . 49.4 mt -94.22 -51.88 4.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.007 0.432 . . . . 0.0 111.397 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -131.56 138.74 49.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.983 -178.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.663 ' O ' HG22 ' A' ' 60' ' ' VAL . 98.8 t -134.84 109.51 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.8 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m120 55.8 56.87 5.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.558 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 73.35 -14.74 0.6 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 57' ' ' VAL . 2.3 m -88.61 138.0 20.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 121.66 -0.65 . . . . 0.0 110.332 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -100.33 132.16 45.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.761 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -105.65 -3.98 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.393 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -65.02 -17.22 64.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.953 0.406 . . . . 0.0 111.683 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -117.1 18.85 14.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.966 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.5 mtp -123.38 155.86 36.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.759 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -68.72 157.84 35.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.538 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -56.44 -45.96 80.54 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.939 0.399 . . . . 0.0 110.626 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.41 -44.26 91.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.764 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.476 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 4.2 m-20 -62.37 -40.34 96.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.159 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.22 88.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.567 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 86.9 t -65.81 -41.44 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.409 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.476 ' HD2' ' HA ' ' A' ' 69' ' ' ASP . 91.3 mtt180 -55.99 -49.59 73.21 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.237 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.55 -41.96 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 78' ' ' VAL . 35.9 tp -57.39 -43.63 83.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.659 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 24.1 mtp180 -57.88 -35.79 71.49 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.439 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 64.0 mm-40 -65.88 -37.55 86.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.0 mt -77.07 -41.11 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.5 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 74' ' ' LEU . 87.8 t -65.16 -31.87 55.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.2 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.6 m -97.2 25.69 5.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.111 0.482 . . . . 0.0 111.188 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 2.3 tp-100 -124.83 151.39 45.3 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.77 118.39 27.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.915 0.388 . . . . 0.0 110.839 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.22 171.11 23.72 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.739 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.99 135.96 28.67 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.698 2.265 . . . . 0.0 112.253 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 72.8 mt -114.27 122.48 68.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.155 0.502 . . . . 0.0 110.69 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.4 m -114.73 120.16 39.14 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.612 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 mt -106.69 129.96 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.391 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -107.74 100.03 9.45 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 20.1 m -105.08 154.02 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.159 0.504 . . . . 0.0 111.777 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.477 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -113.02 120.86 42.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.496 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 23.6 mtpp . . . . . 0 C--O 1.253 1.247 0 CA-C-O 118.338 -0.839 . . . . 0.0 109.5 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.629 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.7 mt -99.57 130.72 48.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.869 0.366 . . . . 0.0 111.132 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 mt -124.49 129.02 73.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.584 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -109.27 118.15 35.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.998 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -117.41 143.49 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.812 0.339 . . . . 0.0 111.372 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 t -109.55 113.62 26.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.1 mt -94.52 137.63 33.41 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -84.04 112.38 20.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.506 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.0 mmm -96.92 20.05 11.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.248 0.547 . . . . 0.0 110.853 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -85.07 -49.82 7.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.532 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -88.66 -30.51 19.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.374 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -93.96 149.51 21.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.735 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -112.92 -10.36 13.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.06 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -151.14 162.05 41.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.816 0.341 . . . . 0.0 110.618 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -83.2 -39.29 21.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.462 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 76.5 53.44 5.51 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.433 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.56 HG22 HG12 ' A' ' 36' ' ' ILE . 1.8 pt -155.21 106.68 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 116.636 0.218 . . . . 0.0 110.691 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.429 ' CA ' ' H9B' ' A' ' 91' ' ' SUZ . 88.8 p -73.67 118.61 16.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.498 0.666 . . . . 0.0 110.374 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.0 mm -75.29 131.92 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.137 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.5 t -114.16 124.35 70.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.054 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.37 113.78 4.64 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.925 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.4 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.0 tt0 -76.15 115.12 15.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.11 0.481 . . . . 0.0 110.401 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.2 m -112.88 142.11 45.93 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.578 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -143.37 -160.74 1.15 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.151 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.06 -44.66 88.24 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.97 0.169 . . . . 0.0 111.113 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -72.79 -66.0 0.72 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.062 0.458 . . . . 0.0 110.054 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.46 -42.79 1.01 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.519 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -74.08 92.7 2.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.335 0.588 . . . . 0.0 110.591 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -114.0 -29.73 2.73 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.842 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.55 162.22 36.94 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.611 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.5 pt -101.13 128.97 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.135 0.493 . . . . 0.0 110.398 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 44.3 m-85 -117.74 162.4 18.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.235 -178.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.4 mm -82.05 121.08 34.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.742 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.32 -88.37 1.33 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.966 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.3 m -113.99 131.34 56.37 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.045 0.45 . . . . 0.0 111.634 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.56 HG12 HG22 ' A' ' 17' ' ' ILE . 47.2 mt -91.86 135.3 27.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.485 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 20.0 mmt -104.46 131.51 51.76 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.962 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -67.77 131.1 44.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.671 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.92 -9.78 34.26 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.33 164.98 36.96 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.706 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.16 73.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.56 0.219 . . . . 0.0 111.409 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.8 t -73.39 -39.28 54.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.681 0.276 . . . . 0.0 111.012 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.99 73.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.196 0.522 . . . . 0.0 110.246 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.73 -16.73 58.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.751 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -82.49 -65.55 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.12 -7.94 69.73 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.578 -0.82 . . . . 0.0 114.949 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -85.82 -26.08 25.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.272 1.036 . . . . 0.0 111.522 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.8 mt -92.52 137.59 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -138.95 162.84 50.31 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.613 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.21 129.7 36.21 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.549 2.166 . . . . 0.0 112.118 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.88 -20.28 22.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.656 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -72.8 143.29 47.95 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.56 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 25.0 ttt -100.04 139.83 35.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.741 0.305 . . . . 0.0 111.501 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.3 125.36 34.63 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' A' ' 89' ' ' ALA . 14.6 mt -103.6 -66.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.146 0.498 . . . . 0.0 111.021 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -121.62 137.37 54.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.632 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.1 t -133.97 101.06 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.083 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 4.7 m-20 64.18 58.89 1.1 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 28.7 m-20 77.91 -45.91 0.44 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.941 -1.027 . . . . 0.0 113.4 178.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 m -67.94 130.12 32.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.49 0.662 . . . . 0.0 110.951 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -98.44 133.62 42.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.538 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -107.19 -2.85 20.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.284 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.74 -41.2 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.111 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -108.31 30.0 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.042 0.448 . . . . 0.0 111.393 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.5 mtp -118.07 162.89 17.45 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.256 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.29 147.28 40.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.066 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -51.29 -47.47 62.53 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.019 0.438 . . . . 0.0 111.13 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.46 -51.32 70.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.367 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.427 ' O ' HG23 ' A' ' 73' ' ' VAL . 10.5 m-20 -65.31 -37.93 88.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.756 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.78 86.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.963 0.411 . . . . 0.0 110.296 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.607 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 78.0 t -65.71 -41.02 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.333 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -57.53 -50.86 71.7 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.702 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 69' ' ' ASP . 44.7 t -61.84 -41.32 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.749 0.309 . . . . 0.0 110.276 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.64 -39.4 84.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.149 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.607 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 59.7 mtp85 -58.64 -44.4 90.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -61.63 -45.08 95.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.654 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.17 -43.71 84.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.085 0.469 . . . . 0.0 110.716 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.3 t -63.24 -30.29 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.59 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.5 m -89.56 -1.46 58.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.875 0.369 . . . . 0.0 110.819 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.16 164.71 11.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.606 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.82 144.21 25.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.19 161.33 10.68 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.193 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -69.54 135.84 32.01 Favored 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 122.354 2.036 . . . . 0.0 111.985 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -107.72 121.55 60.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.788 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -100.27 119.42 38.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.76 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.8 mt -105.85 129.94 53.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.657 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.24 103.32 11.46 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.6 m -107.49 151.32 9.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.286 0.565 . . . . 0.0 112.409 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.593 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -106.57 110.86 23.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.48 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.282 -0.865 . . . . 0.0 110.734 -179.026 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.644 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.818 0.342 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 88' ' ' VAL . 7.5 mt -89.54 119.41 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.873 0.368 . . . . 0.0 110.96 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.4 HG22 HG13 ' A' ' 5' ' ' VAL . 41.7 mt -113.46 124.24 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.865 0.364 . . . . 0.0 110.411 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.2 m -96.91 113.77 25.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.841 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.4 HG13 HG22 ' A' ' 3' ' ' ILE . 26.5 m -122.52 143.1 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.997 0.427 . . . . 0.0 111.507 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -106.67 142.08 36.9 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.475 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 20.2 mt -117.05 142.57 46.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.156 0.503 . . . . 0.0 111.599 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -87.56 115.83 25.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.348 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 95.9 mmm -100.06 15.15 28.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.967 0.413 . . . . 0.0 111.437 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -86.94 -50.19 6.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.349 0.595 . . . . 0.0 109.635 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -87.79 -19.0 28.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.232 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -108.82 136.92 47.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.357 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -99.34 -10.37 22.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -152.07 167.66 27.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.695 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.7 mt -88.32 -39.09 14.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.51 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.477 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 77.4 47.3 9.1 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.541 -179.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.462 HG22 HG12 ' A' ' 36' ' ' ILE . 2.7 pt -148.9 106.75 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 116.801 0.3 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.422 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 48.6 p -73.43 130.24 39.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.393 0.616 . . . . 0.0 110.85 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.452 ' H ' ' H19' ' A' ' 91' ' ' SUZ . 11.1 mm -87.67 129.71 38.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.732 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.1 t -119.1 116.25 50.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.001 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.58 131.95 10.74 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.929 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -87.98 102.88 15.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.063 0.458 . . . . 0.0 110.203 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -98.02 148.62 23.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.21 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -165.38 -167.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.72 -40.71 69.52 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.631 0.253 . . . . 0.0 110.963 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -81.41 -65.58 0.99 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.82 -26.11 6.29 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.222 -0.99 . . . . 0.0 113.714 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -85.28 44.11 1.07 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.156 0.503 . . . . 0.0 111.421 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.76 -32.51 81.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.626 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.69 168.58 27.52 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.334 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.4 pt -102.8 130.23 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.158 0.504 . . . . 0.0 111.057 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -118.54 157.26 27.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.304 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.6 mm -78.08 118.92 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.23 -68.43 1.44 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.693 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 p -137.27 144.06 42.51 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.43 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.462 HG12 HG22 ' A' ' 17' ' ' ILE . 61.7 mt -102.64 134.73 42.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.1 mmt -108.74 135.04 50.62 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.972 0.415 . . . . 0.0 110.674 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -66.36 135.57 54.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.31 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.85 -14.3 37.92 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.433 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.96 164.73 41.05 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.382 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.475 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.63 -36.3 78.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.705 0.288 . . . . 0.0 111.625 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -70.99 -35.31 58.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.824 0.345 . . . . 0.0 110.825 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.99 -22.95 66.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.503 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.92 -14.49 56.06 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.789 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -88.62 -73.29 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.1 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.08 -20.5 28.53 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.931 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -72.44 -31.11 65.2 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 117.391 0.596 . . . . 0.0 111.876 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.7 mt -86.39 137.56 20.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HA ' HD11 ' A' ' 36' ' ' ILE . 8.0 pt-20 -141.42 162.1 49.08 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.169 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.13 129.92 37.46 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.043 1.829 . . . . 0.0 111.062 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.71 -13.85 32.35 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.426 -178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 86.3 m-20 -69.89 134.89 48.92 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.7 ttt -96.79 130.39 44.06 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.692 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.9 mt -87.95 125.54 34.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 89' ' ' ALA . 75.1 mt -103.04 -71.24 0.73 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.125 0.488 . . . . 0.0 111.097 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -112.16 131.02 55.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.546 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.551 ' O ' HG23 ' A' ' 60' ' ' VAL . 78.0 t -122.8 103.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.596 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.6 m120 55.33 70.89 0.58 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.614 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 76.57 -50.51 0.58 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.901 0.881 . . . . 0.0 113.01 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -68.67 127.15 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.032 0.444 . . . . 0.0 111.95 -178.681 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -99.4 129.36 45.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.697 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -102.42 14.81 30.97 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -69.99 -14.94 62.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.637 0.256 . . . . 0.0 111.623 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -120.76 17.72 11.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.92 0.391 . . . . 0.0 110.84 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 76.7 mtp -122.97 149.55 44.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.006 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m -71.51 160.34 32.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.711 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -52.24 -44.24 64.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.246 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.34 -46.9 79.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.151 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.79 -37.46 67.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.554 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.24 -47.07 79.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.197 0.522 . . . . 0.0 110.599 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 85.6 t -69.47 -35.34 66.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.512 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -55.88 -55.18 35.62 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.801 0.334 . . . . 0.0 110.941 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.64 -41.55 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.504 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.08 -43.69 91.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.065 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 44.6 mtp85 -59.46 -37.01 77.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.798 0.333 . . . . 0.0 110.882 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -70.27 -40.27 74.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.6 mt -69.5 -41.63 80.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.167 0.508 . . . . 0.0 110.077 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.1 t -62.69 -32.05 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.617 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.6 m -91.22 18.57 6.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 111.274 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.23 160.66 18.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.847 0.356 . . . . 0.0 110.171 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.58 98.36 8.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.39 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 178.64 169.47 39.39 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.862 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.89 126.73 15.74 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.679 2.252 . . . . 0.0 111.961 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 84.0 mt -103.99 129.36 56.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.567 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 m -124.86 125.95 44.79 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.0 mt -115.83 145.55 42.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.468 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 24.5 p -113.96 105.32 13.1 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 2' ' ' ILE . 10.6 m -96.06 127.35 48.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.301 0.572 . . . . 0.0 112.079 -178.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.479 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -93.7 94.99 8.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.91 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 19.9 mtpp . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.328 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.604 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.5 t30 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.94 0.4 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 63.1 mt -97.02 115.32 36.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.218 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.7 mt -114.72 137.78 47.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.906 0.384 . . . . 0.0 110.656 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -114.14 112.88 23.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.551 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 m -113.14 143.07 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.87 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -107.45 123.57 48.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.434 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 41.1 mt -93.29 142.26 27.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.4 -178.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -91.9 112.23 24.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.1 mmm -95.12 13.13 26.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.491 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -86.52 -48.09 8.68 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -91.44 -9.99 42.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.623 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -115.97 155.3 28.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.832 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -120.95 -11.57 8.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.336 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -147.9 160.68 42.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.194 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 mt -87.8 -33.5 18.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.982 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.14 52.47 11.09 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.474 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -154.3 107.04 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 116.714 0.257 . . . . 0.0 110.638 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.419 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 82.5 p -74.14 123.69 24.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.367 0.603 . . . . 0.0 110.942 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.1 mm -81.81 123.88 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.094 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.4 t -116.24 115.8 50.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.295 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.73 132.45 11.16 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.816 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.411 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 61.6 tt0 -91.57 115.12 27.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.651 0.263 . . . . 0.0 110.693 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.55 162.56 12.85 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -163.84 -152.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -51.44 43.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.76 0.314 . . . . 0.0 110.506 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -77.04 -61.67 1.9 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.108 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.5 -25.33 3.62 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.367 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -77.46 68.14 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.5 0.667 . . . . 0.0 111.378 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -93.48 -35.29 6.27 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.155 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.29 161.96 34.08 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.412 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 pt -97.65 134.58 35.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.974 0.416 . . . . 0.0 110.995 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 59.5 m-85 -121.31 156.69 32.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.161 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.9 mm -74.52 112.95 12.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.04 -69.78 1.37 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.014 -0.612 . . . . 0.0 113.068 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.73 143.43 39.05 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.777 0.322 . . . . 0.0 111.52 -179.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -94.15 132.38 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.794 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 17.0 mmt -105.79 123.88 48.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.988 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -61.39 128.81 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.561 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.59 -15.81 19.5 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.13 166.01 43.9 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.414 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.434 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.95 -34.87 75.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.2 t -71.33 -32.93 48.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.54 -19.62 65.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.982 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.74 -11.27 54.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.247 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -96.9 -81.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.272 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.3 -13.02 16.27 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.201 -1.0 . . . . 0.0 114.23 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -73.7 -24.28 59.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.748 0.774 . . . . 0.0 111.023 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.1 mt -95.86 139.92 18.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.091 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -144.44 164.33 29.12 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.365 -0.38 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.85 121.91 10.89 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.368 2.046 . . . . 0.0 111.219 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.55 -19.94 9.64 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.672 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 99.9 m-20 -67.52 135.64 53.32 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.499 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 25.7 ttt -95.07 134.08 38.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.635 0.255 . . . . 0.0 110.791 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.2 mt -89.01 119.69 29.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 89' ' ' ALA . 40.1 mt -100.44 -70.18 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.132 0.491 . . . . 0.0 110.512 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -114.49 132.09 56.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.83 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.5 t -124.92 91.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 64.49 75.74 0.37 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.882 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 72.67 -51.27 0.71 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.102 -0.954 . . . . 0.0 113.387 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 m -69.93 130.12 34.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.123 0.487 . . . . 0.0 111.709 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -107.07 138.14 43.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.887 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -111.19 10.13 21.83 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -55.99 -37.09 68.63 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -110.4 19.62 18.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.791 0.329 . . . . 0.0 111.263 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 94.0 mtp -113.43 153.88 27.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.806 0.336 . . . . 0.0 110.531 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.03 152.81 39.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.769 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -54.06 -46.34 71.92 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.097 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -62.05 -47.22 85.7 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.749 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -60.84 -38.28 84.95 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.784 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.03 83.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.271 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.4 t -68.82 -37.36 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.62 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -55.58 -56.18 23.36 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.648 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.5 -39.46 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.283 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 78' ' ' VAL . 45.2 tp -57.47 -44.54 84.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.684 179.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -58.72 -37.58 76.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.386 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -67.12 -39.92 86.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.944 0.402 . . . . 0.0 110.569 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.3 mt -70.97 -41.97 77.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.46 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 74' ' ' LEU . 57.8 t -64.24 -31.16 52.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.537 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.8 m -91.6 19.19 6.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.545 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -115.64 157.3 24.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.12 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.99 122.04 38.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.961 0.41 . . . . 0.0 111.201 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.74 179.72 26.73 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.165 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.64 121.2 5.44 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.118 2.545 . . . . 0.0 111.917 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.3 mt -101.94 118.91 49.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.693 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.2 m -100.45 129.88 46.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.627 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.5 mt -111.37 124.34 52.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.23 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.4 m -105.44 100.77 10.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.1 m -101.54 149.27 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -177.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.43 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -112.34 107.68 16.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.412 178.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 22.8 mtpp . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.232 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.651 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.3 mt -94.88 119.82 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.873 0.368 . . . . 0.0 110.729 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 87.5 mt -118.54 134.34 62.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m -105.12 97.3 7.17 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.53 HG21 HD11 ' A' ' 48' ' ' ILE . 12.0 m -89.02 150.32 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.914 0.387 . . . . 0.0 111.449 -178.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 t -108.74 126.38 52.95 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.2 mt -108.46 130.07 55.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.998 0.428 . . . . 0.0 110.909 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -93.46 116.05 28.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.947 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.6 mmm -98.41 14.08 29.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.083 0.468 . . . . 0.0 111.057 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -80.97 -39.61 25.73 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -110.95 17.99 19.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.092 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -139.71 145.32 38.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -107.96 -23.88 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.872 0.368 . . . . 0.0 110.665 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -140.83 164.92 28.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.545 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.4 mt -84.77 -38.67 19.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.441 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 78.97 49.16 6.55 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.682 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -152.84 104.95 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.77 0.285 . . . . 0.0 110.903 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.471 ' CA ' ' H9B' ' A' ' 91' ' ' SUZ . 59.9 p -72.8 121.58 20.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.311 0.577 . . . . 0.0 110.354 -179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.4 mm -79.23 130.15 36.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.965 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.3 t -119.06 120.73 64.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.22 115.88 4.58 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.135 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.488 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 57.3 tt0 -75.76 116.47 16.51 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.8 m -112.78 154.1 26.76 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.189 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -158.55 -169.1 2.62 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.28 -39.07 89.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.887 0.375 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -68.85 -50.1 52.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.449 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.4 -43.57 1.65 Allowed Glycine 0 C--O 1.237 0.334 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.525 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.56 87.75 5.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.54 0.686 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -105.65 -34.52 3.28 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.206 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.29 159.94 24.22 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.358 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 pt -99.1 127.09 52.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.123 0.487 . . . . 0.0 110.566 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.45 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 61.8 m-85 -118.69 155.3 31.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.007 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 mm -77.71 116.29 20.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.021 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.0 -78.13 1.02 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.006 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.33 138.74 54.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.951 0.405 . . . . 0.0 111.879 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.7 mt -97.78 136.88 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.339 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.0 mmt -111.46 132.85 54.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.895 0.379 . . . . 0.0 110.79 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -67.55 126.35 29.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.275 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.49 -14.2 13.3 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.553 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.43 167.28 40.87 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.227 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.49 74.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.775 0.321 . . . . 0.0 111.187 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.4 t -69.53 -34.45 61.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.24 -22.01 66.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.718 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.71 -13.5 45.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.422 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 14.2 t70 -88.95 -68.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.085 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.08 -18.66 54.18 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 120.801 -0.714 . . . . 0.0 114.551 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' HB2' ' OD1' ' A' ' 45' ' ' ASP . 80.0 mtm180 -75.36 -26.71 58.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 117.807 0.803 . . . . 0.0 111.384 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.53 HD11 HG21 ' A' ' 5' ' ' VAL . 64.4 mt -85.34 134.26 27.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -135.45 162.81 55.07 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.306 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.96 125.88 19.97 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.234 1.956 . . . . 0.0 111.159 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.39 -13.98 30.52 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.132 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -65.75 137.34 57.2 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.45 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 28.6 ttt -97.41 130.54 44.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.688 0.28 . . . . 0.0 111.286 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.28 115.38 26.72 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.8 mt -100.44 -47.27 4.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.126 0.488 . . . . 0.0 110.914 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -127.36 138.14 52.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.767 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' HG22 ' A' ' 60' ' ' VAL . 80.8 t -136.58 109.12 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 3.7 m-20 54.91 59.81 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.216 0.322 . . . . 0.0 111.696 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 44.1 m-20 76.82 -45.51 0.49 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 57' ' ' VAL . 17.9 m -67.78 140.46 19.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.367 0.603 . . . . 0.0 111.547 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -98.73 138.5 35.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.744 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -112.57 1.91 16.01 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -64.03 -31.24 72.36 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.704 0.287 . . . . 0.0 110.919 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -105.16 31.83 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.068 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 72.2 mtp -135.13 159.37 41.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.3 p -74.83 159.34 32.05 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -55.71 -42.89 75.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.257 0.551 . . . . 0.0 110.089 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.0 -51.17 67.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.418 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.41 ' O ' HG23 ' A' ' 73' ' ' VAL . 8.6 m-20 -63.7 -36.2 83.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.48 77.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.054 0.454 . . . . 0.0 110.161 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 86.4 t -67.34 -36.43 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.313 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -56.64 -48.03 78.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.409 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 69' ' ' ASP . 28.3 t -69.32 -41.81 81.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.982 0.42 . . . . 0.0 110.062 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.3 tp -56.24 -42.04 76.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.948 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 31.6 mtp85 -58.37 -43.14 88.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.279 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -64.92 -37.94 89.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.69 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.61 -42.64 71.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.403 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.2 t -64.33 -39.58 86.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.386 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.6 m -78.12 -4.43 47.38 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.659 0.266 . . . . 0.0 111.686 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.42 155.02 17.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.722 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.79 168.51 19.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.964 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.16 -179.72 26.02 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.127 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.34 157.13 14.67 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.78 2.32 . . . . 0.0 112.12 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.5 mt -126.59 120.94 57.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.9 m -105.22 118.2 35.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.6 mt -107.44 133.73 51.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.012 0.434 . . . . 0.0 111.511 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 m -109.09 99.86 9.11 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.4 m -99.79 142.72 14.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.082 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.23 107.76 18.86 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.725 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.263 -179.546 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SUZ . . . . . 0.618 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.953 0.406 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.4 mt -85.31 125.92 40.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.45 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.0 mt -128.55 133.78 65.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.647 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.93 120.87 42.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.024 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 85' ' ' SER . 19.6 m -113.84 139.46 39.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.771 0.319 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 m -106.58 107.64 18.75 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.478 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 58.1 mt -86.28 137.52 32.54 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.546 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -86.56 114.32 23.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.692 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mmm -97.4 13.81 28.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.488 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -85.76 -48.42 8.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.408 0.623 . . . . 0.0 109.39 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -91.68 -24.82 19.38 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.48 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -101.34 141.1 34.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.216 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -103.04 -28.73 11.81 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -132.94 156.12 47.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.201 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.3 mt -80.91 -36.93 30.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . 75.82 49.19 9.08 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.651 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pt -148.46 104.0 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 116.955 0.378 . . . . 0.0 110.82 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.0 p -73.23 118.62 16.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.401 0.619 . . . . 0.0 110.713 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.5 mm -76.89 128.32 37.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.28 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.05 117.31 54.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.31 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.6 129.92 9.69 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.865 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -88.4 115.66 26.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.843 0.354 . . . . 0.0 110.581 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.96 140.7 37.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.92 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -150.27 -166.05 2.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.781 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.51 -44.36 97.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.559 0.218 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -75.49 -67.72 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.91 -22.49 4.04 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.168 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -83.25 55.84 3.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.412 0.625 . . . . 0.0 110.829 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.62 -25.22 54.31 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.156 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.06 165.93 39.8 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.959 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.8 pt -103.85 132.46 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.035 0.445 . . . . 0.0 110.522 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 56.1 m-85 -121.11 161.69 21.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.111 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.1 mm -81.99 117.71 28.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.984 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.92 -75.28 0.96 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.612 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.8 m -135.5 149.95 49.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.823 0.344 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 71.8 mt -100.14 128.95 51.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.046 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.7 mmt -94.55 123.21 37.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.259 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.27 125.62 24.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.79 -6.28 24.09 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.569 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.33 169.08 34.19 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.465 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.478 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -62.96 -34.63 77.92 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.77 -37.37 73.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.834 0.349 . . . . 0.0 111.0 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.81 -15.76 63.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.266 0.555 . . . . 0.0 110.56 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.99 -12.73 43.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.619 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -95.18 -74.14 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.962 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.82 -23.49 17.01 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.932 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -68.01 -33.28 74.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.404 0.602 . . . . 0.0 111.179 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.8 mt -85.36 135.91 23.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -141.06 161.16 55.04 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.089 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.79 120.3 6.88 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.459 2.106 . . . . 0.0 112.055 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.47 -7.95 22.49 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.611 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 85.3 m-20 -72.95 141.77 47.8 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.498 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 27.6 ttt -98.77 134.53 41.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.907 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.4 mt -89.29 120.6 30.79 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.806 HD11 ' HB2' ' A' ' 89' ' ' ALA . 23.6 mt -103.92 -64.77 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.167 0.508 . . . . 0.0 111.111 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 8.2 tt0 -120.9 134.89 55.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.462 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.69 ' O ' HG22 ' A' ' 60' ' ' VAL . 65.7 t -128.8 100.13 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 8.3 m120 58.86 60.44 2.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.383 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 14.3 m-20 77.39 -38.3 0.28 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.306 -0.861 . . . . 0.0 113.226 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 57' ' ' VAL . 2.3 m -66.58 142.12 17.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.143 0.497 . . . . 0.0 110.812 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -109.86 131.96 54.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -110.84 0.48 17.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.649 0.261 . . . . 0.0 111.282 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -61.9 -32.16 72.51 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -117.16 33.12 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.347 0.594 . . . . 0.0 110.606 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.2 mtp -121.64 160.68 23.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.55 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.05 149.94 47.14 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -53.08 -51.28 62.36 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.126 0.489 . . . . 0.0 110.802 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 1.3 m-20 -63.69 -42.53 97.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.913 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -63.99 -35.49 80.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.091 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.29 97.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.78 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.7 t -67.64 -34.99 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.213 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 78.2 mtt180 -58.71 -54.59 45.31 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.123 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.47 -38.32 81.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.513 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.413 ' O ' HG23 ' A' ' 78' ' ' VAL . 46.5 tp -59.3 -42.9 92.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.433 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -60.48 -35.17 75.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.212 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.31 -34.28 77.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.927 0.394 . . . . 0.0 110.629 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.5 mt -79.65 -43.25 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.194 0.521 . . . . 0.0 110.18 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 74' ' ' LEU . 69.2 t -64.42 -28.97 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.389 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 m -99.04 28.46 4.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.979 0.419 . . . . 0.0 110.581 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -124.27 -179.1 4.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.171 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.93 140.49 39.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.788 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.12 169.2 12.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.665 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.56 131.07 19.39 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.004 2.469 . . . . 0.0 111.951 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.6 mt -102.16 116.63 46.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.195 0.521 . . . . 0.0 110.614 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 67.6 m -103.71 116.28 32.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.435 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.472 HD23 HG13 ' A' ' 57' ' ' VAL . 96.4 mt -105.19 124.06 48.9 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.939 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -101.75 104.48 15.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.7 m -102.77 151.05 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.806 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -108.32 107.46 18.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.474 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.496 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 25.4 mtpp . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.541 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 40.8 t30 . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.81 0.338 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.5 mt -88.74 122.9 40.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.568 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 mt -119.48 131.56 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.973 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 m -108.17 110.87 22.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.752 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.646 HG21 HD11 ' A' ' 48' ' ' ILE . 11.6 m -106.82 142.18 20.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.177 0.513 . . . . 0.0 111.883 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 t -109.64 113.19 25.76 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.486 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 58.6 mt -98.34 142.64 29.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.415 0.626 . . . . 0.0 112.233 -177.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -90.65 112.89 24.81 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.472 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.5 mmm -99.35 25.04 7.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -92.13 -55.1 3.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -87.59 -0.56 57.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.318 0.58 . . . . 0.0 109.867 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -119.56 158.44 26.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.681 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -121.63 -15.32 8.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.679 0.276 . . . . 0.0 110.986 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -145.73 159.19 43.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.16 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.2 mt -83.24 -37.51 23.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.765 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.04 48.62 7.53 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.384 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.417 HG22 HG12 ' A' ' 36' ' ' ILE . 1.6 pt -144.18 101.61 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 116.636 0.218 . . . . 0.0 111.028 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -71.08 116.4 11.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.372 0.606 . . . . 0.0 110.23 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.7 mm -73.76 137.88 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.007 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.69 117.26 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.968 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.98 120.05 5.38 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.746 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -87.33 112.91 22.57 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m -113.18 147.74 36.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.586 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -151.4 -171.12 3.85 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.53 -29.88 64.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.98 0.419 . . . . 0.0 110.586 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -83.58 -57.76 3.1 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.86 -34.19 4.59 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.438 -0.887 . . . . 0.0 113.246 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.35 58.61 2.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.13 0.49 . . . . 0.0 111.676 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.54 -39.02 11.23 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.197 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.22 165.87 26.69 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.403 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 pt -101.14 128.6 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.967 0.413 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 58.1 m-85 -118.32 160.01 22.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.176 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.4 mm -81.52 116.78 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.691 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.47 -74.94 1.17 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.097 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.02 146.95 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.008 0.432 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.417 HG12 HG22 ' A' ' 17' ' ' ILE . 21.1 mt -107.77 135.56 46.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.381 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.3 mmt -101.49 128.98 47.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.755 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -64.58 133.78 53.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.549 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.07 -12.02 57.35 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.457 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.07 165.89 51.2 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.681 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.04 -34.98 74.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.578 0.227 . . . . 0.0 111.414 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.7 t -71.26 -40.74 74.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.11 0.481 . . . . 0.0 110.773 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.0 -10.78 53.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.977 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.21 -12.68 43.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.603 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -93.71 -69.03 0.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 110.18 -25.7 15.43 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.329 -0.938 . . . . 0.0 113.706 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -70.08 -31.21 68.68 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 117.238 0.519 . . . . 0.0 111.529 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.646 HD11 HG21 ' A' ' 5' ' ' VAL . 64.8 mt -83.19 135.08 25.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -144.7 160.07 48.69 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -49.85 126.77 17.42 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.615 2.21 . . . . 0.0 111.948 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.66 -16.72 26.06 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.055 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -68.17 139.53 56.11 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.495 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 28.2 ttt -100.25 128.9 46.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.671 0.272 . . . . 0.0 110.972 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.5 mt -85.52 110.51 19.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.105 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.574 HD11 ' HB2' ' A' ' 89' ' ' ALA . 58.0 mt -90.62 -65.23 1.03 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.289 0.566 . . . . 0.0 110.573 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -119.76 134.07 55.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.791 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.544 HG13 HD23 ' A' ' 86' ' ' LEU . 59.2 t -128.11 102.15 8.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.92 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 63.32 64.62 0.82 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.757 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 76.46 -48.04 0.55 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.992 0.917 . . . . 0.0 113.25 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 m -70.64 123.65 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.386 0.612 . . . . 0.0 111.415 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -95.58 126.47 40.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.239 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -99.11 11.46 38.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.75 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.82 -28.48 69.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.704 0.287 . . . . 0.0 111.269 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -110.93 19.28 18.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.067 0.461 . . . . 0.0 111.204 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 97.8 mtp -120.46 159.14 25.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.623 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.3 m -72.79 160.62 31.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -56.37 -48.11 77.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.719 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 1.1 m-20 -60.83 -47.27 87.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.493 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.91 -38.62 82.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.058 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.8 79.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.428 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.448 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 92.5 t -63.81 -35.34 72.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 65.5 mtt85 -58.16 -58.23 9.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.29 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.3 t -65.26 -33.44 63.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.043 0.449 . . . . 0.0 110.185 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.77 -41.28 90.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.013 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 1.1 mtt85 -62.95 -36.77 84.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 30.8 mm-40 -64.38 -35.38 80.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.038 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.6 mt -81.05 -44.0 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.357 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.1 t -63.18 -33.22 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.606 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -95.08 17.98 13.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.82 0.343 . . . . 0.0 110.755 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 4.8 tp-100 -114.79 164.08 14.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.739 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.08 132.77 41.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 139.06 -174.16 22.28 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.696 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -83.65 141.9 10.04 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.701 2.268 . . . . 0.0 112.176 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.5 mt -120.45 121.43 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.066 0.46 . . . . 0.0 111.092 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 60.7 m -104.13 126.56 51.34 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.115 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.544 HD23 HG13 ' A' ' 57' ' ' VAL . 87.9 mt -111.93 119.59 39.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.706 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.1 m -99.5 99.6 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.8 m -99.44 145.51 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.406 0.622 . . . . 0.0 112.481 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -107.17 107.09 17.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.813 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.295 -179.508 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 50.7 t30 . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.905 0.383 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 54.7 mt -90.89 123.27 42.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.877 0.37 . . . . 0.0 111.184 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.3 mt -126.01 129.58 72.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.939 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.7 m -100.98 119.24 38.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.5 m -107.47 137.44 38.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.637 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.4 t -107.91 118.58 37.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.512 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 15.4 mt -108.43 150.98 26.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.43 0.529 . . . . 0.0 112.43 -177.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -92.88 126.46 37.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.758 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.3 mmm -109.22 21.14 17.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.991 0.424 . . . . 0.0 111.028 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -84.91 -54.81 4.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.103 0.477 . . . . 0.0 109.851 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -89.96 -16.85 29.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.23 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -100.18 135.13 42.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.3 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -101.22 -20.13 15.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.711 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -142.08 156.88 45.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.887 0.375 . . . . 0.0 110.766 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.1 mt -82.67 -34.81 27.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.42 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . 74.09 54.86 6.07 Favored Glycine 0 C--O 1.223 -0.586 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.398 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -151.31 103.09 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 116.892 0.346 . . . . 0.0 110.857 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.7 p -73.64 120.14 18.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.569 0.7 . . . . 0.0 110.658 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 mm -77.81 125.72 37.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.528 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.2 t -116.49 117.5 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.981 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.72 129.18 9.64 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.991 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.493 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 6.7 tt0 -97.0 121.74 39.22 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -129.57 150.34 50.94 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.102 0.477 . . . . 0.0 110.623 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -142.05 -147.1 0.2 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -60.41 -46.11 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.961 0.41 . . . . 0.0 110.028 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -74.47 -77.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.243 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.51 -22.09 2.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.827 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -79.34 50.06 1.05 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.095 0.474 . . . . 0.0 111.729 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.493 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -75.98 -37.13 39.19 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.676 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.48 159.18 27.95 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.513 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.5 pt -99.4 127.2 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.082 0.468 . . . . 0.0 110.372 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.462 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 86.0 m-85 -114.27 160.78 18.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.052 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.4 mm -81.78 117.15 27.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.569 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.57 -95.73 0.22 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.309 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.7 m -117.03 144.3 44.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.801 0.334 . . . . 0.0 110.759 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 74.7 mt -97.82 129.1 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.455 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 36.9 mmt -91.69 133.48 35.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.27 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -63.3 131.16 47.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.79 -9.99 57.13 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.692 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.79 161.87 42.53 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.226 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.512 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -59.39 -32.49 70.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.64 0.257 . . . . 0.0 111.661 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.2 t -74.55 -36.38 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.559 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.92 -21.82 65.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.286 0.565 . . . . 0.0 110.5 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.11 -10.06 53.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.775 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -93.06 -71.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.61 -20.44 32.04 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.542 -0.837 . . . . 0.0 114.243 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -71.12 -32.53 69.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 117.621 0.711 . . . . 0.0 111.323 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.7 mt -85.8 138.05 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -138.88 162.26 53.62 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.586 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.73 114.66 2.05 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.384 2.056 . . . . 0.0 111.588 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.46 -14.83 8.68 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.382 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -69.49 143.31 53.53 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.462 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.1 ttt -99.85 136.38 39.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.55 0.214 . . . . 0.0 111.282 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.4 mt -87.25 120.78 28.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.745 HD11 ' HB2' ' A' ' 89' ' ' ALA . 57.2 mt -102.25 -52.26 3.18 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.227 0.537 . . . . 0.0 111.001 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.8 139.35 45.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.555 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.5 t -133.62 101.2 3.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 61.64 67.83 0.74 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.934 0.397 . . . . 0.0 111.613 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 72.57 -46.01 0.64 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.2 m -68.79 135.71 27.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.346 0.594 . . . . 0.0 111.628 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -96.78 129.12 44.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.462 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -100.42 -5.68 26.78 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -59.79 -37.74 79.94 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.842 0.354 . . . . 0.0 110.95 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -102.57 37.62 1.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 76.6 mtp -139.8 149.7 43.83 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.97 154.27 31.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.403 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -55.56 -46.27 77.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.668 0.27 . . . . 0.0 111.162 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -64.54 -45.33 87.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.242 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 22.4 m-20 -62.43 -40.14 95.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.78 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.43 90.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.076 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.615 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 77.9 t -66.23 -43.58 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.801 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 69' ' ' ASP . 91.1 mtt180 -51.4 -54.62 24.8 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.224 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.56 -37.21 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.04 -44.62 94.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.806 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 13.0 mtp180 -58.0 -39.88 79.37 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.666 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -63.45 -40.34 96.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.994 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.1 mt -73.23 -45.9 51.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.134 0.493 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.0 t -61.37 -28.98 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.531 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.3 m -91.82 -0.73 57.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.327 . . . . 0.0 111.286 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.75 156.27 17.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.429 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.3 m -84.78 136.98 33.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.991 0.424 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.26 158.86 8.24 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.451 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.74 138.91 72.01 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.77 2.313 . . . . 0.0 111.443 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.4 mt -117.03 126.01 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.962 0.411 . . . . 0.0 111.22 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.0 m -108.61 127.02 53.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.76 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.8 mt -111.59 121.37 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.946 0.403 . . . . 0.0 111.459 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.8 m -96.06 100.43 12.09 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 26.0 m -102.84 145.85 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.423 0.63 . . . . 0.0 112.157 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.745 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -105.95 105.97 16.26 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.729 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.522 -0.751 . . . . 0.0 110.365 -179.594 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 mt -94.2 133.45 35.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.435 HD12 ' HD3' ' A' ' 90' ' ' LYS . 58.7 mt -127.32 128.38 70.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.72 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.7 m -107.0 115.61 30.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.2 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.7 m -112.58 153.48 14.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.973 0.416 . . . . 0.0 110.998 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -112.88 136.51 52.45 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.497 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 83.7 mt -113.53 141.12 47.53 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.03 0.443 . . . . 0.0 110.876 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -91.9 113.04 25.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.292 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.3 mmm -92.36 9.67 33.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.203 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -86.48 -51.62 6.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.371 0.605 . . . . 0.0 109.684 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -86.28 -21.98 27.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.691 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -110.88 155.45 22.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.734 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -116.36 -28.52 6.48 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.038 0.447 . . . . 0.0 110.495 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -130.71 153.06 49.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.57 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.401 HD21 HD12 ' A' ' 84' ' ' ILE . 29.7 mt -78.07 -36.68 47.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.379 -178.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.87 49.87 7.4 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.52 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -149.24 104.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.6 p -76.7 114.11 15.09 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.527 0.679 . . . . 0.0 111.001 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mm -73.25 133.41 31.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.402 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.2 t -125.74 110.14 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.92 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 31' ' ' ILE . . . -78.99 125.78 7.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.279 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.5 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.1 tt0 -81.16 113.77 19.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.746 0.308 . . . . 0.0 110.226 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -97.61 151.45 20.07 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -152.04 -175.63 5.32 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.56 -32.54 67.22 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.099 0.475 . . . . 0.0 110.27 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -88.1 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.33 -21.41 4.08 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.043 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -82.81 54.23 2.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.421 0.629 . . . . 0.0 111.547 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.5 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -78.45 -37.72 26.79 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.59 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.73 156.26 28.39 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.326 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.4 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . 5.5 pt -92.02 129.57 42.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.241 0.543 . . . . 0.0 111.16 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -116.85 166.01 12.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.086 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.7 mm -87.4 117.18 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.484 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.31 -77.62 1.1 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.902 -0.665 . . . . 0.0 113.08 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m -126.05 149.91 48.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.705 0.288 . . . . 0.0 111.454 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.0 mt -105.12 130.78 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.943 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.2 mmt -96.24 130.4 43.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.604 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -69.31 125.41 26.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.923 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.52 -5.85 31.48 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.44 167.78 39.48 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.904 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.497 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -61.71 -38.19 86.98 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.8 t -69.74 -35.02 63.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.014 0.435 . . . . 0.0 111.004 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.69 -15.29 61.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.452 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.22 -0.23 55.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.794 0.331 . . . . 0.0 111.403 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -102.15 -70.6 0.75 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.146 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.4 -26.05 15.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.844 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -65.23 -38.4 90.26 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 117.157 0.478 . . . . 0.0 111.754 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.4 mt -85.69 139.5 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.603 0.239 . . . . 0.0 110.373 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -147.02 162.25 33.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.138 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.31 116.49 3.1 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.5 2.133 . . . . 0.0 111.929 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 126.46 -18.31 6.44 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.263 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.475 ' CG ' ' HZ2' ' A' ' 90' ' ' LYS . 85.3 m-20 -71.69 146.54 48.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.7 ttt -104.83 136.26 44.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.426 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 mt -87.52 126.04 34.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.706 0.289 . . . . 0.0 110.482 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.698 HD11 ' HB2' ' A' ' 89' ' ' ALA . 29.6 mt -107.74 -54.63 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -128.72 139.94 51.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.05 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.2 t -133.87 109.29 12.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.816 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.493 ' OD1' ' HA ' ' A' ' 84' ' ' ILE . 3.2 m120 50.82 60.83 3.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.08 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 74.36 -18.68 0.4 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.914 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.7 t -84.69 123.49 39.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.904 0.383 . . . . 0.0 111.233 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -91.77 122.57 34.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.396 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -101.77 -1.96 31.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.789 0.328 . . . . 0.0 111.403 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -62.66 -22.59 66.57 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -119.04 28.06 8.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.93 0.395 . . . . 0.0 110.922 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.3 mtp -124.07 160.24 28.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.434 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.27 153.62 42.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.504 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -54.59 -48.33 72.27 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.02 -49.81 75.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.832 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -60.16 -39.43 86.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.387 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.32 -49.73 75.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.531 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.17 -35.35 73.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.69 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -60.06 -52.41 65.47 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.841 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.74 -38.05 81.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.14 0.495 . . . . 0.0 110.082 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.4 -40.33 86.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.255 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -57.0 -42.06 79.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.037 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 29.9 mm-40 -64.71 -37.08 86.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.352 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -76.11 -43.03 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.14 0.495 . . . . 0.0 110.536 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.39 -34.5 64.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.442 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 m -96.65 21.51 9.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.917 0.389 . . . . 0.0 110.765 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 2.8 tp-100 -115.69 168.91 9.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.309 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.59 151.36 20.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.298 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.55 159.51 12.14 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.826 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.58 125.7 13.7 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.822 2.348 . . . . 0.0 112.144 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.493 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 78.8 mt -92.92 131.26 40.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.138 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.7 m -114.03 124.36 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.97 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.5 mt -114.66 126.33 54.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.127 0.489 . . . . 0.0 111.766 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -105.31 102.5 11.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.33 154.22 7.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.263 0.554 . . . . 0.0 112.341 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.698 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -109.76 121.4 45.14 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.34 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.475 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 26.7 mtpp . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.357 -0.83 . . . . 0.0 109.826 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.7 t30 . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.811 0.338 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.4 mt -90.44 126.23 43.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.365 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.3 mt -125.53 130.02 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.02 0.438 . . . . 0.0 110.78 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.25 116.67 33.13 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.904 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 m -116.02 150.84 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.918 0.389 . . . . 0.0 111.033 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -114.09 131.06 56.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.465 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 58.6 mt -112.27 133.74 54.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.984 0.421 . . . . 0.0 111.516 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -88.03 109.42 19.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.361 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.0 mmm -93.32 18.62 9.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.508 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -91.19 -43.4 9.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -94.08 -17.32 22.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.328 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -115.12 141.42 48.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.008 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -108.04 -15.5 14.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.865 0.364 . . . . 0.0 111.374 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -138.93 157.5 45.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.999 0.428 . . . . 0.0 110.211 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.407 HD21 HD12 ' A' ' 84' ' ' ILE . 74.8 mt -87.42 -32.26 19.62 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.242 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.97 54.34 14.68 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.309 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -153.65 102.68 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.684 0.242 . . . . 0.0 110.795 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.5 p -74.53 127.97 34.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.42 0.628 . . . . 0.0 110.36 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.7 mm -81.67 128.58 38.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.996 -178.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -116.7 116.03 50.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.329 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.36 132.51 11.31 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.789 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -89.95 99.1 12.18 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.6 m -108.95 103.72 12.81 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.563 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -100.45 -139.57 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.518 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -76.24 -44.44 37.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.0 0.429 . . . . 0.0 110.752 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -73.2 -57.05 4.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.89 -25.27 7.61 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.729 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.63 54.87 3.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.218 0.532 . . . . 0.0 110.784 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.74 -43.48 6.81 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.158 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.52 167.21 21.86 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.085 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.9 pt -107.31 138.78 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.003 0.43 . . . . 0.0 111.038 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -123.09 158.01 31.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.352 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.6 mm -72.55 115.73 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 50' ' ' PRO . . . -79.46 -85.04 0.59 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.959 -0.638 . . . . 0.0 113.08 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -120.39 137.3 54.38 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 122.604 -0.351 . . . . 0.0 111.126 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.1 mt -95.87 134.24 34.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.562 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.8 mmt -102.54 127.03 49.78 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -62.25 117.82 6.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.19 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.62 -16.03 8.47 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.453 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.19 163.45 50.57 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.9 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -59.93 -34.65 73.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.748 0.308 . . . . 0.0 111.479 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.19 -34.75 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.949 0.404 . . . . 0.0 110.531 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.26 -6.74 47.93 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.63 -25.21 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -77.76 -73.07 0.33 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.977 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.07 -3.96 27.06 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.506 -0.854 . . . . 0.0 114.108 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -93.36 -28.8 15.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 117.626 0.713 . . . . 0.0 111.906 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.4 mt -88.18 137.38 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -140.64 161.98 51.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.309 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.46 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 40.4 Cg_exo -57.46 106.91 0.26 Allowed 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.467 2.111 . . . . 0.0 112.062 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.02 -19.87 3.65 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.592 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -67.39 138.06 56.42 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.419 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 28.3 ttt -91.08 137.23 32.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.643 0.259 . . . . 0.0 111.237 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 54' ' ' LEU . 8.5 mt -90.06 115.15 27.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.929 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.76 HD11 ' HB2' ' A' ' 89' ' ' ALA . 15.5 mt -97.52 -78.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.169 0.509 . . . . 0.0 110.628 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -110.19 134.49 52.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.809 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.2 t -129.01 98.69 4.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.843 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 6.9 m120 62.6 71.13 0.53 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.48 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 58.3 m-20 74.12 -52.35 0.69 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.221 -0.9 . . . . 0.0 113.14 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.1 m -68.61 130.29 33.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.31 0.576 . . . . 0.0 111.327 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -105.75 132.02 52.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.441 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -99.87 6.31 45.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.762 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -54.86 -35.76 64.36 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 111.609 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -119.2 56.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.3 0.572 . . . . 0.0 110.483 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 39.2 mtp -146.58 166.06 27.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.958 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 77.6 p -73.83 156.85 37.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.692 0.282 . . . . 0.0 110.332 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -62.16 -30.58 71.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.195 0.521 . . . . 0.0 110.09 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -50.3 17.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.846 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -61.43 -34.57 75.62 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.488 0.185 . . . . 0.0 111.076 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.26 -46.74 82.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.195 0.521 . . . . 0.0 110.41 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.6 t -70.94 -36.27 63.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.272 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -57.23 -49.75 75.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.547 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.39 -38.49 81.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.866 0.365 . . . . 0.0 110.111 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.56 -41.8 95.31 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.326 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -57.72 -40.47 79.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.064 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -65.34 -45.85 82.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.5 mt -67.26 -40.72 85.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.18 -32.05 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.289 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 m -86.24 0.67 53.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.501 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.68 178.08 4.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.917 0.389 . . . . 0.0 110.979 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.4 p -108.02 135.58 49.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.5 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.86 -178.88 27.06 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.754 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -81.48 128.03 6.0 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.806 2.337 . . . . 0.0 111.568 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.407 HD12 HD21 ' A' ' 15' ' ' LEU . 25.0 mt -99.29 120.49 48.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.018 0.437 . . . . 0.0 110.683 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -111.73 117.21 32.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.757 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.9 mt -108.01 129.02 55.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.964 0.412 . . . . 0.0 111.963 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.7 95.33 5.58 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.5 m -99.34 148.47 6.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.512 0.672 . . . . 0.0 112.278 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.76 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -109.86 112.46 24.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.004 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.823 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 . . . . . 0 N--CA 1.483 1.218 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.0 mt -100.03 118.97 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.584 0.231 . . . . 0.0 110.707 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.8 mt -111.51 132.76 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.009 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m -100.68 111.85 24.16 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 48' ' ' ILE . 7.1 m -115.73 146.78 19.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.062 0.458 . . . . 0.0 111.683 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.1 t -119.65 134.9 55.04 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.532 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 24.0 mt -118.31 156.74 28.35 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.053 0.454 . . . . 0.0 111.797 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 27.4 t-20 -93.14 120.12 33.1 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.474 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mmm -101.01 10.53 40.98 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.304 0.378 . . . . 0.0 111.56 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -83.04 -57.75 3.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -80.04 -32.4 39.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.18 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.455 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 32.2 m80 -92.95 142.06 27.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.216 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -106.92 -12.4 15.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.599 0.238 . . . . 0.0 111.196 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -149.09 159.61 44.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.385 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.0 mt -80.56 -39.23 28.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.026 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.93 48.14 7.98 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.84 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pt -150.57 103.05 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.681 0.24 . . . . 0.0 110.355 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.6 p -71.11 123.38 22.0 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.42 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.1 mm -82.34 127.68 39.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.435 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.8 t -116.85 118.61 59.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.732 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.22 121.33 5.59 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.213 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.411 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 6.6 tt0 -83.19 127.13 33.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.849 0.356 . . . . 0.0 110.586 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.8 m -138.4 163.14 32.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -156.22 -92.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.454 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -122.47 -36.53 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.042 0.448 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 -78.97 -56.57 4.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.71 -37.72 2.35 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.282 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -79.34 75.85 5.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.636 0.731 . . . . 0.0 111.395 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -98.29 -42.12 3.06 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.201 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.63 163.16 23.36 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.045 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.6 pt -99.76 127.93 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.946 0.403 . . . . 0.0 110.7 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 59.3 m-85 -117.24 160.23 21.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.99 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.9 mm -80.08 120.79 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.142 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.77 -81.14 0.89 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.54 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.2 m -130.18 142.99 50.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.784 0.326 . . . . 0.0 111.013 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.1 mt -94.38 131.02 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.893 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.5 mmt -97.6 125.19 42.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.427 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -64.86 120.84 13.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.112 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.96 -11.02 13.5 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.35 168.69 46.65 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.27 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -62.17 -34.92 77.33 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.68 -31.96 39.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.055 0.455 . . . . 0.0 110.796 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.94 -8.82 40.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.2 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.88 -3.71 29.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.833 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -95.85 -70.29 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.862 0.363 . . . . 0.0 110.121 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.26 -23.76 27.92 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.251 -0.976 . . . . 0.0 113.987 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -74.03 -32.56 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.707 0.754 . . . . 0.0 111.315 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.406 HD11 HG21 ' A' ' 5' ' ' VAL . 54.4 mt -82.31 131.16 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -133.27 161.01 66.36 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.347 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.35 126.33 20.49 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.06 1.84 . . . . 0.0 110.788 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.23 -16.57 22.31 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.956 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -66.83 144.08 56.5 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.467 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.3 ttt -99.6 133.4 43.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.635 0.255 . . . . 0.0 111.046 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.0 mt -89.74 124.7 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.587 HD11 ' HB2' ' A' ' 89' ' ' ALA . 44.9 mt -102.81 -67.75 0.86 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.005 0.431 . . . . 0.0 111.063 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -123.55 138.3 54.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.87 102.67 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.204 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 8.6 m120 63.42 66.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.74 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 39.9 m-20 74.91 -44.36 0.54 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.07 125.99 32.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.475 0.655 . . . . 0.0 111.342 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -96.34 136.51 36.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.449 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -111.38 3.52 18.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -58.57 -33.21 69.69 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.799 0.333 . . . . 0.0 111.16 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -115.8 43.22 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.033 0.444 . . . . 0.0 110.786 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 61.2 mtp -137.36 162.33 33.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.272 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.35 150.27 47.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.31 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -58.42 -47.07 85.14 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.842 0.353 . . . . 0.0 110.739 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.23 -49.8 74.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.487 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -59.15 -40.25 84.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.072 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.31 -48.19 81.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.352 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.491 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 79.7 t -64.52 -37.76 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.206 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -59.04 -48.41 81.71 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.017 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 69' ' ' ASP . 39.0 t -64.05 -42.15 94.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.188 0.518 . . . . 0.0 109.872 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.2 tp -58.44 -40.55 82.87 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.301 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 32.7 mtp85 -57.82 -41.79 82.98 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.001 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -65.32 -42.84 92.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.6 mt -69.28 -43.73 81.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.18 -35.02 72.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.54 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.4 m -83.44 3.75 30.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.928 0.394 . . . . 0.0 111.01 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -109.07 156.28 19.97 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.9 m -95.19 123.13 38.52 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.869 0.366 . . . . 0.0 110.68 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.61 178.48 41.35 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -78.01 93.42 1.09 Allowed 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.492 2.128 . . . . 0.0 111.692 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 55.2 mt -71.92 119.96 19.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.565 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -122.36 125.87 46.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.24 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.58 151.66 46.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.91 0.386 . . . . 0.0 111.375 -178.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.7 p -114.56 113.49 24.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.426 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.4 m -101.03 129.59 51.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.166 0.508 . . . . 0.0 111.669 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.587 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -96.64 104.86 16.88 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.297 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.16 -0.924 . . . . 0.0 109.6 -179.529 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 42.9 t30 . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.897 0.38 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.8 mt -89.28 121.6 39.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.073 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.9 mt -118.77 132.74 67.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.088 0.47 . . . . 0.0 111.013 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -103.94 111.82 24.53 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 m -107.94 144.64 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.014 0.435 . . . . 0.0 111.471 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -104.35 136.46 43.9 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -121.42 133.78 55.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.954 0.407 . . . . 0.0 111.134 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -91.19 116.31 28.71 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.685 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.9 mmm -96.06 10.03 38.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.173 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -80.95 -37.37 29.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.24 0.543 . . . . 0.0 109.889 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -110.37 14.01 22.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.149 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -138.91 135.06 34.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.434 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -96.52 -28.29 14.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -137.51 164.8 27.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.902 0.382 . . . . 0.0 111.152 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -88.18 -35.63 17.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.8 51.58 7.0 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.784 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.418 HG22 HG12 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -154.38 104.22 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 116.738 0.269 . . . . 0.0 110.351 -179.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.1 p -71.64 132.84 45.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.282 0.563 . . . . 0.0 110.76 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 mm -88.18 122.97 40.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.265 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.6 t -116.67 109.22 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.818 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 31' ' ' ILE . . . -81.93 134.01 12.63 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.364 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -83.52 107.93 16.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.27 0.557 . . . . 0.0 110.255 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.16 137.42 40.46 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.844 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -151.28 -169.76 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -36.26 77.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.966 0.413 . . . . 0.0 110.616 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -76.45 -65.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.327 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.32 -33.31 3.68 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.276 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -82.54 54.05 2.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.295 0.569 . . . . 0.0 111.449 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.39 -39.54 25.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.852 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.31 161.43 29.3 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.053 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.449 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . 9.7 pt -98.24 132.14 43.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.143 0.496 . . . . 0.0 111.326 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -118.83 156.46 29.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.731 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.2 mm -75.61 119.34 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.165 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.71 -86.0 1.01 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.205 -0.521 . . . . 0.0 113.189 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -116.49 136.83 52.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.739 0.304 . . . . 0.0 111.449 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.418 HG12 HG22 ' A' ' 17' ' ' ILE . 66.2 mt -94.68 139.22 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.858 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.5 mmt -113.15 124.97 53.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.674 0.273 . . . . 0.0 110.569 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -60.79 130.68 47.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.022 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.49 -15.55 24.64 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.825 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.03 165.05 43.08 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.655 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.63 76.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.747 0.308 . . . . 0.0 111.657 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.6 t -71.82 -37.25 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 110.546 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.78 -17.1 63.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.26 0.552 . . . . 0.0 110.315 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.45 -2.9 55.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.154 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -100.96 -72.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.856 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.44 -21.36 21.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.478 -0.868 . . . . 0.0 114.715 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -71.02 -25.87 62.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.604 0.702 . . . . 0.0 111.584 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mt -93.95 134.22 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -133.02 162.44 57.64 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.93 102.61 0.21 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.675 2.25 . . . . 0.0 111.75 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.16 -21.13 2.98 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.78 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HB3' ' HB ' ' A' ' 88' ' ' VAL . 91.3 m-20 -62.65 140.32 58.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.828 0.347 . . . . 0.0 110.224 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.3 ttt -98.13 133.34 42.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.668 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.4 mt -86.52 122.54 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.281 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' A' ' 89' ' ' ALA . 84.2 mt -102.35 -71.58 0.72 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.97 0.414 . . . . 0.0 110.779 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.74 136.97 53.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.54 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.8 t -130.54 103.31 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.336 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 5.6 m-20 58.87 68.44 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.317 0.386 . . . . 0.0 111.882 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 20.7 m-20 76.33 -52.57 0.6 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.614 0.766 . . . . 0.0 112.856 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.0 m -67.84 130.11 32.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.499 0.666 . . . . 0.0 111.678 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -100.68 133.71 44.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.54 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -105.16 5.81 32.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.814 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -58.63 -36.75 74.58 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -111.93 33.22 4.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.592 0.234 . . . . 0.0 111.452 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 79.9 mtp -122.42 158.28 30.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.852 0.358 . . . . 0.0 110.814 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.08 151.38 46.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.614 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -52.37 -42.98 64.42 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 4.1 m-20 -68.6 -49.02 62.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.026 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -58.54 -42.08 87.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.379 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.24 -43.46 78.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.099 0.476 . . . . 0.0 110.604 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.1 t -71.01 -39.67 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.478 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 80.8 mtt180 -58.86 -49.61 77.09 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.314 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 49.7 t -64.08 -40.88 90.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.169 0.509 . . . . 0.0 110.024 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.09 -41.35 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.155 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -57.64 -37.41 73.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.085 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -66.65 -45.44 78.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.871 0.367 . . . . 0.0 110.555 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.4 mt -67.83 -40.53 83.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.212 0.53 . . . . 0.0 110.78 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.07 -33.36 63.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -87.4 9.61 20.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.394 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -101.72 167.33 10.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.35 74.88 0.92 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.927 0.394 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -158.94 169.53 35.23 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.716 -0.553 . . . . 0.0 111.716 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.66 139.47 69.71 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.576 2.184 . . . . 0.0 111.987 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.2 mt -120.69 116.55 50.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.037 0.446 . . . . 0.0 111.005 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.8 m -102.39 122.93 45.25 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.4 mt -107.43 125.54 51.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.911 0.386 . . . . 0.0 111.548 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.1 97.54 7.62 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 52' ' ' ASP . 34.4 m -99.79 144.98 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.348 0.594 . . . . 0.0 112.324 -177.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.42 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -103.66 111.48 23.98 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.48 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.51 -179.524 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 84.9 mt -94.78 114.37 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.723 0.297 . . . . 0.0 110.359 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.7 mt -115.21 132.32 64.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.807 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -108.18 112.68 25.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.909 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.1 m -104.27 135.43 42.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.208 0.528 . . . . 0.0 111.721 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -105.77 120.42 41.66 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.2 mt -102.94 152.44 21.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.417 0.627 . . . . 0.0 112.491 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -100.92 110.22 22.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.81 -1.087 . . . . 0.0 109.552 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 98.9 mmm -94.04 11.16 30.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.452 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -77.2 -56.21 4.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.367 0.604 . . . . 0.0 109.537 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -82.06 -36.49 27.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.637 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -86.25 156.88 20.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -116.82 -31.37 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.332 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -132.55 162.49 31.13 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.029 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.23 -36.01 21.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.974 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.45 51.45 8.39 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.366 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 pt -152.19 105.94 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 116.678 0.239 . . . . 0.0 110.701 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -74.18 129.63 38.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.318 0.58 . . . . 0.0 110.706 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mm -85.58 125.45 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.172 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.9 t -107.65 125.87 64.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.055 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.94 114.29 4.87 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.59 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.471 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 8.1 tt0 -87.04 127.71 35.1 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.522 ' OG ' ' HA2' ' A' ' 27' ' ' GLY . 35.4 t -157.32 131.25 8.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.693 0.282 . . . . 0.0 110.303 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -123.65 -92.87 0.52 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.368 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -101.48 -43.97 5.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.817 0.341 . . . . 0.0 110.516 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.458 ' HB3' ' OD2' ' A' ' 28' ' ' ASP . 16.9 mmt85 -73.88 -56.44 4.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.466 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.522 ' HA2' ' OG ' ' A' ' 23' ' ' SER . . . 113.83 -23.19 13.44 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.272 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.458 ' OD2' ' HB3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -82.02 48.23 1.21 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.913 0.387 . . . . 0.0 111.72 -179.474 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -72.38 -46.49 33.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.387 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.55 171.94 19.2 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.371 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.7 pt -105.66 127.7 60.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.015 0.436 . . . . 0.0 110.6 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 49.3 m-85 -123.01 160.39 26.38 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.862 -178.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.7 mm -80.66 118.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 50' ' ' PRO . . . -87.44 -73.64 1.28 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.872 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 p -124.37 136.99 54.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.03 0.443 . . . . 0.0 111.477 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 mt -97.87 140.93 16.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.72 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.1 mmt -111.32 126.24 54.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.536 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -63.76 132.29 50.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.902 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.75 -14.49 38.19 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.88 162.61 46.92 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.786 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.05 -33.41 68.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.791 0.329 . . . . 0.0 111.71 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.1 t -75.96 -34.65 27.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.31 -17.18 63.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.3 -4.27 58.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.425 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -101.15 -74.01 0.63 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.938 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.69 -23.54 17.21 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.523 -0.846 . . . . 0.0 114.158 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -64.09 -34.82 78.92 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.751 0.776 . . . . 0.0 111.578 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.0 mt -86.66 138.33 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.31 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -136.96 162.0 58.29 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.257 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.471 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 36.4 Cg_exo -61.2 105.0 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.296 1.997 . . . . 0.0 111.699 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.99 -17.47 3.62 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 93.5 m-20 -68.45 141.2 55.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.702 0.287 . . . . 0.0 110.295 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.481 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.2 ttt -99.04 133.72 42.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.789 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.2 mt -87.35 125.85 34.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.901 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.627 HD11 ' HB2' ' A' ' 89' ' ' ALA . 55.3 mt -102.97 -64.02 1.11 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.964 0.411 . . . . 0.0 110.948 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -124.03 139.58 53.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.481 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.481 HG13 HD23 ' A' ' 86' ' ' LEU . 59.3 t -133.46 100.71 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 m120 57.98 75.58 0.37 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.896 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 72.63 -51.76 0.7 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.9 m -71.73 129.35 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.36 0.6 . . . . 0.0 112.32 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -98.44 134.7 41.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.764 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -107.39 1.6 23.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -58.24 -42.22 85.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 111.538 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -103.96 33.85 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.039 0.447 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.8 mtp -125.28 165.18 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.333 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.8 p -76.57 158.31 31.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.202 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -62.73 -35.42 79.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.153 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 1.1 m-20 -70.14 -53.28 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -62.83 -33.18 74.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.149 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.52 -49.02 78.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.995 0.426 . . . . 0.0 110.368 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.458 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 94.8 t -70.32 -34.28 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.355 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 73.5 mtt180 -56.91 -51.88 67.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.66 -39.01 82.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.34 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.77 -41.73 87.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.457 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 31.6 mtp85 -58.99 -38.31 78.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -66.61 -43.19 85.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 110.587 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.2 mt -67.12 -41.11 86.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.104 0.478 . . . . 0.0 110.23 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.6 t -65.26 -31.74 55.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.988 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.6 m -89.46 12.3 16.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -111.15 156.86 20.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.695 0.283 . . . . 0.0 110.312 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.12 93.19 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.945 0.402 . . . . 0.0 111.012 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.89 172.94 45.41 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.024 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.34 116.22 4.52 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.663 2.242 . . . . 0.0 112.524 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.2 mt -92.78 130.1 42.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.686 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 m -120.87 116.92 26.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.037 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.481 HD23 HG13 ' A' ' 57' ' ' VAL . 16.4 mt -106.9 126.28 52.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.497 -178.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.9 m -103.51 110.56 22.65 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.2 m -109.56 157.44 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.627 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -121.35 116.98 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.942 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 20.1 mtpp . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.061 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 61.9 t30 . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.57 0.224 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.4 mt -92.67 118.8 39.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.14 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.401 HG22 HG13 ' A' ' 5' ' ' VAL . 38.0 mt -115.73 126.61 73.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 m -103.96 117.01 33.29 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.948 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.401 HG13 HG22 ' A' ' 3' ' ' ILE . 35.1 m -121.57 139.0 50.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.03 0.443 . . . . 0.0 111.59 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.7 147.42 28.56 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.524 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 14.1 mt -121.22 157.38 30.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.984 0.421 . . . . 0.0 111.436 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -99.52 106.2 18.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.912 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.7 mmm -89.86 18.78 5.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.406 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -95.43 -42.97 8.21 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -93.14 -14.52 27.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.304 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -120.2 153.75 35.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.293 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -111.17 -26.35 9.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.585 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -134.46 160.95 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.696 0.284 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.0 mt -83.38 -37.29 23.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.802 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.05 49.24 8.79 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.512 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pt -149.83 105.36 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.873 0.337 . . . . 0.0 110.715 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.3 p -72.21 133.88 45.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.294 0.568 . . . . 0.0 110.906 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mm -90.7 119.4 37.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.196 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -112.03 113.35 43.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.204 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.4 131.63 10.54 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.963 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -86.77 114.06 23.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.902 0.382 . . . . 0.0 110.38 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.6 164.5 12.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.398 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -174.86 -170.05 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -59.8 -44.16 94.09 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -77.47 -70.09 0.49 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.829 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.16 -11.82 7.24 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.683 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -83.25 39.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.173 0.511 . . . . 0.0 111.059 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.07 -37.45 82.52 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.826 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.2 168.81 33.16 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.221 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 pt -104.76 135.36 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.146 0.498 . . . . 0.0 111.275 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 79.3 m-85 -123.66 158.87 30.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.849 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.8 mm -76.15 112.22 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.75 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.19 -75.19 0.75 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.416 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.4 m -133.69 146.36 50.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.712 0.291 . . . . 0.0 110.924 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -102.07 139.25 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.951 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.6 mmt -109.2 129.95 55.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.321 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -67.97 130.8 44.08 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.05 -13.52 24.04 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.86 167.01 43.56 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.841 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.524 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -62.9 -33.1 74.6 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.5 t -67.72 -30.23 47.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 111.026 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.61 -9.92 58.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.47 -15.93 34.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.976 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -96.83 -76.19 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.33 -21.18 20.1 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.437 -0.887 . . . . 0.0 114.06 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -67.39 -24.61 65.7 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 117.682 0.741 . . . . 0.0 111.488 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.6 mt -88.84 135.15 26.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.4 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -133.51 160.34 69.01 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.153 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -62.19 110.56 1.05 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.321 2.014 . . . . 0.0 110.645 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 130.82 -15.14 5.45 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.834 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -68.62 143.2 54.9 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.402 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 49.9 ttp -97.19 133.58 41.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.653 0.263 . . . . 0.0 110.586 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.6 mt -86.11 117.55 25.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.035 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' A' ' 89' ' ' ALA . 48.7 mt -94.75 -69.3 0.76 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.148 0.499 . . . . 0.0 110.913 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.418 ' H ' ' HB ' ' A' ' 87' ' ' THR . 7.8 tt0 -121.84 137.26 54.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.11 -178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.9 t -127.81 104.09 11.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.885 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 12.0 m120 51.86 74.52 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.298 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 66.2 m-20 75.45 -43.87 0.51 Allowed 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 178.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.427 HG11 HG11 ' A' ' 73' ' ' VAL . 2.7 t -75.52 121.81 28.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.126 0.489 . . . . 0.0 111.599 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -97.58 130.59 44.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.744 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -103.53 4.77 36.22 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -57.84 -31.65 66.86 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -118.08 34.85 4.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.754 0.311 . . . . 0.0 111.018 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 79.3 mtp -125.94 161.17 28.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.433 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 81.1 p -75.41 159.56 31.25 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.94 -36.31 79.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.068 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.26 -49.56 63.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.871 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -65.6 -38.88 90.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.664 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.53 -50.47 69.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.514 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.586 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 60.0 t -67.06 -37.68 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.898 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -55.66 -52.01 65.3 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.644 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.427 HG11 HG11 ' A' ' 60' ' ' VAL . 19.9 t -66.07 -40.74 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.434 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.16 -39.59 82.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.627 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 26.2 mtp180 -59.51 -38.86 82.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.015 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.29 -43.7 73.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.444 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.4 mt -65.93 -43.46 92.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.757 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.3 t -63.42 -35.36 72.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.0 m -87.62 9.93 19.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.928 0.395 . . . . 0.0 110.809 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -104.82 142.54 34.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.417 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.2 120.47 25.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.584 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.26 177.77 31.67 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.245 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -78.11 108.13 2.45 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.737 2.291 . . . . 0.0 112.524 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.7 mt -86.31 131.6 34.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.032 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 m -122.11 126.02 47.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.986 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.2 mt -111.5 135.55 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.003 0.43 . . . . 0.0 111.327 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.418 ' HB ' ' H ' ' A' ' 56' ' ' GLN . 1.8 m -109.38 103.8 12.78 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.4 m -103.81 146.26 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.203 0.525 . . . . 0.0 112.291 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.418 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -107.37 114.14 27.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.581 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.224 -0.894 . . . . 0.0 110.089 -179.57 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 54.1 mt -104.43 128.18 58.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.761 0.315 . . . . 0.0 111.149 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 mt -121.81 126.26 74.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 m -102.02 108.51 19.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 m -112.56 157.4 13.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.917 0.389 . . . . 0.0 111.647 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 t -117.07 140.84 49.0 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.473 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 24.5 mt -115.11 136.16 53.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.99 0.424 . . . . 0.0 111.765 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -86.94 112.18 21.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.472 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.8 mmm -98.5 11.29 38.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.915 0.388 . . . . 0.0 110.996 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.04 -47.65 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.052 0.453 . . . . 0.0 109.813 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -90.72 -15.95 29.35 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -104.5 166.77 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.263 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -124.03 -15.19 6.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.767 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -151.23 166.96 29.29 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.129 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.0 mt -86.29 -38.45 17.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.767 0.318 . . . . 0.0 110.828 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.38 52.65 7.35 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.991 -0.624 . . . . 0.0 112.077 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.424 HG21 HG11 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -154.35 106.99 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 116.867 0.334 . . . . 0.0 110.826 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.0 p -72.72 130.04 39.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.103 0.478 . . . . 0.0 110.457 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.471 HG13 ' CD2' ' A' ' 74' ' ' LEU . 10.3 mm -90.35 124.21 42.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.9 t -111.25 126.56 68.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.354 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.67 120.3 6.62 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.389 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -74.96 105.56 6.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.017 0.437 . . . . 0.0 110.397 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -93.83 148.39 22.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.355 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -163.63 -160.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.45 -48.6 69.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.55 0.214 . . . . 0.0 111.176 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -71.49 -59.9 2.52 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.4 -21.81 9.11 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.422 -0.894 . . . . 0.0 113.316 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -87.64 51.79 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.858 0.837 . . . . 0.0 110.68 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.95 -23.13 69.93 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.998 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.03 166.19 42.1 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.833 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.4 pt -101.94 135.5 38.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.167 0.508 . . . . 0.0 111.116 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -124.01 161.36 25.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.622 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.2 mm -81.53 116.92 26.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.822 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.48 -73.65 0.96 Allowed Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.551 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.9 m -140.67 150.69 43.82 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 122.768 -0.254 . . . . 0.0 110.812 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 49' ' ' GLU . 30.5 mt -98.1 141.79 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.512 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.6 mmt -109.99 119.72 40.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.128 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -56.17 127.28 29.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.255 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.3 -19.29 20.09 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.996 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.93 168.95 54.42 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.799 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -61.55 -35.55 78.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.634 0.254 . . . . 0.0 111.363 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.424 HG11 HG21 ' A' ' 17' ' ' ILE . 74.6 t -74.19 -34.48 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.403 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.88 -28.02 69.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.169 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.88 -21.76 40.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.661 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -77.41 -73.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.609 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.56 -19.45 47.74 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.675 -0.774 . . . . 0.0 114.141 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -73.25 -28.1 61.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.767 0.784 . . . . 0.0 110.32 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.0 mt -91.59 139.24 18.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.538 ' HA ' HD11 ' A' ' 36' ' ' ILE . 10.0 pt-20 -146.58 162.2 35.01 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.815 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.96 117.8 4.27 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.64 2.226 . . . . 0.0 111.846 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.54 -18.15 8.23 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.623 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -68.95 145.3 53.74 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.414 ' O ' ' HA ' ' A' ' 88' ' ' VAL . 27.3 ttt -100.22 137.78 38.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.817 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.2 mt -94.01 122.51 36.58 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 89' ' ' ALA . 51.7 mt -104.05 -74.79 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.014 0.435 . . . . 0.0 110.94 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -110.65 135.73 50.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.444 ' O ' HG22 ' A' ' 60' ' ' VAL . 77.6 t -129.37 97.5 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.01 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.484 ' OD1' ' HA ' ' A' ' 84' ' ' ILE . 5.0 m120 60.17 72.6 0.52 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.768 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 1.4 m-20 72.9 -45.63 0.63 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 57' ' ' VAL . 17.2 m -75.28 135.04 28.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.444 0.64 . . . . 0.0 111.461 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -103.14 138.08 40.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.861 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -111.1 4.36 19.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.746 0.308 . . . . 0.0 111.592 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -58.4 -34.11 70.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.266 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -117.21 36.66 4.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.028 0.442 . . . . 0.0 111.011 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.0 mtp -131.26 153.78 49.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.724 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.05 145.87 49.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.66 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -55.27 -46.8 76.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 110.812 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -39.91 87.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -66.93 -34.93 78.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.432 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.63 98.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.11 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.551 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 88.7 t -64.03 -37.84 80.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.122 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -56.61 -51.14 69.81 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.96 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.1 t -68.53 -37.75 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.118 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.471 ' CD2' HG13 ' A' ' 19' ' ' ILE . 45.2 tp -58.45 -43.37 88.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.54 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 3.0 mtp180 -58.24 -37.75 75.5 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.815 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 66.4 mm-40 -63.49 -43.96 95.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.559 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.6 mt -69.66 -41.36 80.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.63 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 t -64.84 -38.68 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.7 m -89.76 15.98 8.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.252 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.556 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -119.06 156.75 29.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.742 0.306 . . . . 0.0 110.177 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.34 145.43 26.33 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.322 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.35 173.25 13.26 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.57 131.56 11.54 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.475 2.117 . . . . 0.0 111.593 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.484 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 97.2 mt -99.74 122.36 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.752 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.1 m -107.37 113.16 26.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.917 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 mt -104.38 125.08 50.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.474 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.7 m -105.78 96.99 6.88 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 53' ' ' MET . 15.5 m -101.26 144.08 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.316 0.579 . . . . 0.0 112.474 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.47 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -110.24 114.45 27.94 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.403 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.308 -179.351 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 43.4 t30 . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.828 0.346 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 37.2 mt -98.52 126.43 51.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.921 0.391 . . . . 0.0 110.809 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -121.8 131.4 73.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.382 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.8 m -105.51 106.36 16.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.15 0.5 . . . . 0.0 110.574 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.4 m -106.12 157.14 6.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.672 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 85' ' ' SER . 0.7 OUTLIER -121.03 143.34 49.11 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.469 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.531 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 28.5 mt -114.65 137.69 51.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.704 0.288 . . . . 0.0 111.145 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.442 ' OD1' ' HB2' ' A' ' 10' ' ' GLU . 27.2 t-20 -85.31 108.67 17.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.862 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.2 mmm -87.29 12.21 12.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.16 0.505 . . . . 0.0 111.403 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.442 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 55.0 mm-40 -84.12 -55.59 4.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -84.64 -23.11 29.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.653 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -112.72 140.03 47.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.634 0.254 . . . . 0.0 110.548 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -100.71 -23.71 14.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.044 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -130.44 154.03 48.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.134 0.492 . . . . 0.0 110.619 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.408 HD21 HD12 ' A' ' 84' ' ' ILE . 14.5 mt -80.95 -36.97 30.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.487 -178.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 50.74 6.5 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.392 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pt -151.22 102.94 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.912 0.356 . . . . 0.0 110.716 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.6 p -75.47 121.28 22.11 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.163 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.7 mm -78.15 131.41 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.582 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.8 t -113.44 122.38 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.753 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.65 120.19 5.6 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.435 -0.888 . . . . 0.0 111.886 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -83.1 114.35 21.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.876 0.369 . . . . 0.0 110.194 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.7 m -107.71 170.34 8.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.566 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -174.61 -161.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.34 -35.35 79.22 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.447 ' HB3' ' OD1' ' A' ' 28' ' ' ASP . 22.0 mmt85 -82.75 -60.06 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.48 -23.36 10.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.606 -0.807 . . . . 0.0 113.482 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.447 ' OD1' ' HB3' ' A' ' 26' ' ' ARG . 2.8 p-10 -79.7 47.36 0.84 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.133 0.492 . . . . 0.0 111.548 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.34 -38.12 53.53 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.494 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.41 168.17 26.69 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.354 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 pt -100.82 130.13 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.13 0.491 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.468 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 39.6 m-85 -120.13 157.75 28.33 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.805 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.3 mm -76.38 111.81 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.672 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.24 -66.28 2.06 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.795 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -146.15 152.87 39.96 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.637 -0.331 . . . . 0.0 111.0 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -103.96 137.41 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.395 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.4 mmt -101.32 125.34 47.94 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -61.51 122.81 16.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.464 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.31 -15.13 20.56 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.766 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.2 167.02 54.06 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.639 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.95 -33.6 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.5 t -74.2 -34.8 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.38 . . . . 0.0 110.432 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.86 -15.43 63.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.105 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.27 -21.9 27.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.956 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -84.68 -76.52 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.58 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.19 -23.61 12.47 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.409 -0.901 . . . . 0.0 114.188 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -69.21 -32.99 72.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.684 0.742 . . . . 0.0 111.169 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.418 HG12 HG21 ' A' ' 88' ' ' VAL . 35.7 mt -85.16 133.94 28.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -137.33 162.05 57.42 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.784 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.87 111.12 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.478 2.118 . . . . 0.0 111.336 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.5 -13.56 6.54 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.138 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.414 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 89.6 m-20 -69.41 145.14 53.08 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.468 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.5 ttt -99.62 130.15 45.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.617 0.246 . . . . 0.0 111.151 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.9 mt -85.45 121.77 28.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.335 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 89' ' ' ALA . 58.3 mt -104.45 -60.77 1.54 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.187 0.518 . . . . 0.0 111.171 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -126.2 135.1 51.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.66 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.486 ' O ' HG22 ' A' ' 60' ' ' VAL . 85.4 t -131.13 101.0 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.108 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 62.4 61.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.964 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 74.78 -40.59 0.45 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.724 -1.125 . . . . 0.0 113.781 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 57' ' ' VAL . 33.4 m -71.29 129.73 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.325 0.583 . . . . 0.0 110.7 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -97.25 127.99 43.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.016 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -98.24 -5.35 33.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.713 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.57 -22.66 66.52 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.852 0.358 . . . . 0.0 111.437 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -111.71 30.91 6.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.903 0.382 . . . . 0.0 110.726 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.4 mtp -134.79 170.4 15.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.354 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.8 p -82.6 164.22 20.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -61.87 -32.0 72.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.359 0.599 . . . . 0.0 109.867 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 6.2 m-20 -74.06 -53.01 10.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.379 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -58.93 -39.29 81.14 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.643 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.45 -47.28 79.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.034 0.445 . . . . 0.0 110.993 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.78 -39.48 77.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.04 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 86.8 mtt180 -55.3 -50.4 69.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.9 t -70.29 -39.14 76.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.821 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.6 tp -56.48 -42.76 78.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.934 0.397 . . . . 0.0 110.52 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -57.23 -35.67 69.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.575 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 19.9 mm-40 -69.29 -36.21 76.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 111.282 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.7 mt -78.37 -39.64 24.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.211 0.529 . . . . 0.0 110.428 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.68 -37.38 79.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.01 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -92.9 23.0 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.898 0.38 . . . . 0.0 110.926 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 3.8 tp-100 -117.4 149.21 40.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.999 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 121.15 24.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.273 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.82 154.51 6.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.838 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.84 140.84 82.11 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.682 2.255 . . . . 0.0 112.536 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.408 HD12 HD21 ' A' ' 15' ' ' LEU . 36.2 mt -116.03 121.72 68.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 52.9 m -100.95 130.93 47.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.686 179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.5 mt -113.78 118.45 34.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.021 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m -96.96 97.96 9.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.418 HG21 HG12 ' A' ' 48' ' ' ILE . 5.0 m -103.3 144.29 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.471 0.653 . . . . 0.0 112.528 -178.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.713 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -106.3 121.84 45.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.746 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 22.6 mtpp . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.242 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 46.3 t30 . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.728 0.299 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.4 mt -93.83 123.4 45.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 110.946 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 mt -126.05 141.37 45.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.318 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 m -118.12 111.16 18.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.62 0.248 . . . . 0.0 110.482 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.78 146.49 22.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.921 0.391 . . . . 0.0 111.017 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 85' ' ' SER . 57.7 m -112.05 129.54 56.18 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.466 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 15.3 mt -105.6 144.44 32.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.298 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.474 HD21 ' HB2' ' A' ' 10' ' ' GLU . 13.8 t-20 -87.81 116.81 26.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.238 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 87.7 mmm -97.12 11.65 35.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.127 0.489 . . . . 0.0 111.254 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.474 ' HB2' HD21 ' A' ' 8' ' ' ASN . 60.8 mm-40 -83.11 -46.54 12.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.761 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -93.26 -12.32 30.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.403 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -110.89 152.22 26.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -109.16 -36.15 6.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.386 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -129.6 163.41 26.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.632 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.3 mt -86.1 -32.4 21.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.048 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.56 53.15 13.26 Favored Glycine 0 C--O 1.226 -0.39 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.789 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pt -150.46 103.73 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 116.852 0.326 . . . . 0.0 111.169 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.2 p -72.16 120.43 17.76 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.541 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.3 mm -81.3 130.5 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.499 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.7 t -122.42 111.75 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.11 125.11 6.77 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.382 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -78.1 123.16 26.54 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.17 160.06 21.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.776 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -172.5 -160.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.036 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.55 -42.86 97.44 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.161 0.288 . . . . 0.0 111.66 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -79.88 -67.47 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.196 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.9 -26.3 4.52 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.229 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -79.09 54.97 1.72 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.371 0.605 . . . . 0.0 111.536 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 -34.71 24.44 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.795 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.76 160.54 34.1 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.553 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 pt -93.74 133.0 36.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 0.0 110.993 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -120.17 157.93 28.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.5 mm -79.31 116.3 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 50' ' ' PRO . . . -80.4 -67.67 1.54 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.84 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.14 147.04 36.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.475 0.179 . . . . 0.0 110.71 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 49' ' ' GLU . 24.8 mt -100.36 137.18 28.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.215 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 16.1 mmt -104.43 133.51 49.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.344 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -61.91 136.73 58.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.643 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.15 -13.09 60.41 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.983 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.1 162.99 46.83 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.78 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.71 -37.64 82.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.683 0.278 . . . . 0.0 111.569 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.78 -32.59 41.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.169 0.509 . . . . 0.0 110.731 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.5 -25.74 66.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.309 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.48 4.63 30.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.661 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -100.66 -80.94 0.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.505 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.34 -26.17 6.12 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.579 -0.819 . . . . 0.0 113.588 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -77.4 -37.7 51.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.128 0.464 . . . . 0.0 111.512 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.0 mt -81.22 135.96 24.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HA ' HD11 ' A' ' 36' ' ' ILE . 8.3 pt-20 -144.85 165.04 24.2 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.538 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 50.3 Cg_exo -56.05 125.4 18.96 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.273 1.982 . . . . 0.0 111.424 178.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.35 -15.76 15.1 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.588 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.421 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 98.1 m-20 -71.52 140.56 49.96 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.424 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 27.8 ttt -97.99 130.47 44.83 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 mt -86.97 124.22 32.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.771 0.32 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.521 HD11 ' HB2' ' A' ' 89' ' ' ALA . 34.1 mt -108.3 -77.59 0.6 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.893 0.377 . . . . 0.0 111.133 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.44 ' H ' ' HB ' ' A' ' 87' ' ' THR . 4.3 tt0 -103.03 127.06 50.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.036 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.465 ' O ' HG22 ' A' ' 60' ' ' VAL . 97.1 t -123.86 95.9 3.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 1.6 m-20 59.74 69.75 0.69 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.906 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 78.3 m-20 78.34 -52.74 0.49 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.986 0.914 . . . . 0.0 113.169 178.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 57' ' ' VAL . 16.1 m -67.27 140.1 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.117 0.484 . . . . 0.0 111.607 -178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -116.04 140.12 49.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.779 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -106.95 8.65 30.63 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.53 -38.99 78.92 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -109.88 32.14 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.277 0.561 . . . . 0.0 110.914 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.7 mtp -129.92 149.9 51.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.249 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.88 152.75 45.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.361 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -55.84 -43.2 76.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.9 0.381 . . . . 0.0 110.724 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.64 -51.81 65.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.347 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 8.6 m-20 -63.75 -39.42 94.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.844 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.73 76.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.771 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.585 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 94.0 t -66.21 -41.39 89.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.232 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' A' ' 69' ' ' ASP . 89.6 mtt180 -55.1 -48.47 73.52 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.61 -40.85 82.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.671 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.9 tp -57.5 -43.22 84.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.813 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 13.3 mtp85 -60.45 -35.28 75.49 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.157 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 25.9 mm-40 -66.9 -42.88 84.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.815 0.34 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 38.7 mt -72.55 -40.0 62.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.556 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.6 -38.98 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.053 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.1 m -89.9 24.98 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.899 0.38 . . . . 0.0 111.261 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 1.5 tp-100 -127.36 150.39 49.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.294 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.49 152.28 37.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.866 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.84 154.16 10.01 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.623 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.07 142.14 79.67 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.927 2.418 . . . . 0.0 112.029 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.6 mt -117.65 121.81 68.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.995 0.426 . . . . 0.0 110.832 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 23.7 m -101.26 117.99 36.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.781 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.8 mt -103.78 121.3 42.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.328 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.44 ' HB ' ' H ' ' A' ' 56' ' ' GLN . 2.8 m -96.64 99.06 10.7 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 177.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.6 m -97.04 149.48 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.379 0.609 . . . . 0.0 112.08 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.521 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -116.24 112.38 21.52 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.306 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.421 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 23.8 mtpp . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.392 -0.813 . . . . 0.0 110.232 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 61.5 mt -97.17 132.12 42.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.546 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.7 mt -126.07 133.26 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.923 0.392 . . . . 0.0 110.908 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.66 108.37 18.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.925 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.5 m -112.43 156.35 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.876 0.369 . . . . 0.0 111.203 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 t -112.8 143.18 44.48 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.65 141.33 46.56 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.088 0.471 . . . . 0.0 111.519 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.445 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 26.1 t-20 -87.79 100.63 13.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.3 mmm -87.33 4.0 44.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.587 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -73.89 -60.43 2.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.577 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.43 -42.77 22.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.341 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 20.7 m80 -79.11 145.9 33.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.37 -179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -101.29 -21.33 14.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.656 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -145.64 173.87 11.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 111.287 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.465 HD11 HG22 ' A' ' 78' ' ' VAL . 13.2 mt -88.86 -42.71 11.7 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.494 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.44 46.91 7.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.23 -0.509 . . . . 0.0 112.844 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 pt -148.35 106.18 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.7 p -71.72 136.46 47.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.378 0.609 . . . . 0.0 111.03 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mm -92.03 127.86 44.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.34 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -114.84 112.84 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.738 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.3 104.62 2.73 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.047 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.618 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.4 tt0 -64.81 118.67 9.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.198 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -106.96 153.43 22.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.946 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -155.16 -175.34 5.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.4 -37.15 86.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.686 0.279 . . . . 0.0 111.182 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -77.13 -68.06 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.341 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.72 -29.82 1.84 Allowed Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.193 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -79.51 76.16 6.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.618 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -92.36 -63.97 1.12 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.307 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.35 147.96 9.27 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.15 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 pt -89.63 123.61 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.259 0.552 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.479 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 43.0 m-85 -114.94 157.37 23.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.462 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.8 mm -79.63 111.26 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.376 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.39 -80.3 0.51 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.912 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.42 146.46 50.47 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.788 0.327 . . . . 0.0 110.896 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 49' ' ' GLU . 35.2 mt -98.35 142.43 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.1 mmt -111.74 128.13 56.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.917 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -65.94 118.39 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.107 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.4 -11.95 8.47 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.13 169.74 44.33 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.12 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 12' ' ' HIS . . . -64.69 -36.81 85.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.56 -32.15 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.982 0.42 . . . . 0.0 111.08 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.69 -4.64 24.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.039 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.41 9.73 27.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.477 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -108.79 -67.06 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.266 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.98 -17.76 41.0 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.493 -0.86 . . . . 0.0 114.699 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -78.91 -32.32 45.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 117.961 0.88 . . . . 0.0 111.556 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.1 mt -89.44 135.91 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.505 ' HA ' HD11 ' A' ' 36' ' ' ILE . 9.3 pt-20 -142.41 163.32 39.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.442 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.14 125.59 19.67 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.339 2.026 . . . . 0.0 111.75 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.44 -14.57 18.03 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.903 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 95.3 m-20 -74.14 146.62 43.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.479 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 26.9 ttt -105.39 137.97 42.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.491 0.186 . . . . 0.0 110.612 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.8 mt -88.52 119.47 29.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 89' ' ' ALA . 70.2 mt -97.05 -67.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.099 0.476 . . . . 0.0 110.605 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -120.88 132.87 55.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.066 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.428 HG13 HD23 ' A' ' 86' ' ' LEU . 57.3 t -125.88 98.29 4.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.817 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 1.4 m-20 60.43 61.3 1.79 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.573 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.481 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 34.6 m-20 81.38 -45.18 0.2 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.21 1.004 . . . . 0.0 113.489 178.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.4 m -70.31 127.03 31.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.573 0.701 . . . . 0.0 110.775 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -97.58 133.62 41.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.413 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -109.29 5.03 23.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -61.26 -36.4 79.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.877 0.37 . . . . 0.0 111.267 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -110.91 36.27 3.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.929 0.395 . . . . 0.0 110.918 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 90.2 mtp -130.72 153.81 48.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.222 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.95 155.46 40.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.334 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -53.79 -47.27 70.95 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.026 0.441 . . . . 0.0 110.943 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.84 -51.96 67.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.164 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -59.97 -39.18 84.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.656 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.54 -47.53 83.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.057 0.456 . . . . 0.0 110.37 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.446 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 94.8 t -67.29 -38.19 80.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.57 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -58.28 -51.08 71.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.362 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.11 -41.18 91.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.819 0.343 . . . . 0.0 110.474 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.57 -42.07 87.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.551 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 33.5 mtp85 -58.71 -37.39 75.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -67.85 -36.84 81.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.989 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.7 mt -75.34 -41.32 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.284 0.564 . . . . 0.0 110.198 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.465 HG22 HD11 ' A' ' 15' ' ' LEU . 40.4 t -63.67 -33.94 64.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.204 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m -94.24 24.56 4.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.143 0.497 . . . . 0.0 110.659 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -120.33 177.27 5.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.268 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.19 127.54 55.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.518 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.87 158.73 7.76 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.938 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.37 124.97 14.18 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.718 2.279 . . . . 0.0 111.814 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.26 122.93 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.08 0.467 . . . . 0.0 111.139 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.43 123.75 46.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.924 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.428 HD23 HG13 ' A' ' 57' ' ' VAL . 95.0 mt -109.34 118.83 37.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.748 -178.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -100.23 95.3 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.6 m -96.41 145.78 8.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -108.47 115.94 31.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.903 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 22.5 mtpp . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.559 -0.734 . . . . 0.0 109.763 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.574 0.226 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 mt -93.76 122.2 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.79 0.329 . . . . 0.0 110.292 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 mt -116.43 135.75 55.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.816 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 m -110.41 115.63 29.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.746 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.8 m -120.75 145.37 27.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.01 0.433 . . . . 0.0 111.338 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.3 t -102.13 140.85 35.86 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.0 mt -117.77 129.89 55.96 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.919 0.39 . . . . 0.0 111.742 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -80.22 112.75 17.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.025 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mmm -98.39 15.77 23.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.985 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -83.71 -56.5 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -85.24 -19.9 30.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.31 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -99.41 145.98 26.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.561 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -113.15 -6.11 13.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.919 0.39 . . . . 0.0 110.38 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -156.27 161.99 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.131 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.535 HD21 HD12 ' A' ' 84' ' ' ILE . 60.1 mt -87.14 -35.1 18.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.346 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.67 53.28 8.54 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.769 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -154.67 104.99 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.973 0.387 . . . . 0.0 110.707 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.8 p -74.53 127.82 34.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.264 0.554 . . . . 0.0 110.649 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.7 mm -83.58 130.03 36.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.27 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.0 t -121.33 117.03 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.735 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.14 129.45 9.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.566 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -80.48 112.84 18.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.955 0.407 . . . . 0.0 110.126 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -98.81 151.65 20.58 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.171 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -163.57 -162.4 0.72 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -61.74 -48.97 78.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.641 0.258 . . . . 0.0 110.739 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -80.46 -50.97 9.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.789 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.54 13.78 25.3 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.827 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -100.25 26.9 6.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.99 0.424 . . . . 0.0 110.482 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.0 -43.16 97.08 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.35 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.23 166.16 28.85 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.245 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.0 pt -98.05 134.84 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.187 0.518 . . . . 0.0 111.383 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -124.55 161.44 26.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.501 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.1 mm -78.28 119.25 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.953 178.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.46 -80.59 1.12 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.627 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.3 m -124.2 146.8 48.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.979 0.418 . . . . 0.0 111.397 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.464 HD11 ' HA ' ' A' ' 49' ' ' GLU . 43.4 mt -102.24 143.85 14.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.214 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.3 mmt -112.07 131.98 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -62.62 134.52 56.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.569 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.77 -7.93 63.37 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.106 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.68 160.62 49.07 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.358 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.46 73.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.796 0.332 . . . . 0.0 111.363 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.5 t -71.15 -39.65 73.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 120.932 0.396 . . . . 0.0 110.769 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.3 69.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.276 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.2 -18.8 60.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -92.13 -64.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.973 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.9 -14.17 61.74 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.642 -0.79 . . . . 0.0 114.521 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -72.45 -25.83 61.6 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 117.852 0.826 . . . . 0.0 111.75 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.6 mt -94.86 134.43 32.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HA ' HD11 ' A' ' 36' ' ' ILE . 10.9 pt-20 -137.87 166.81 23.4 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.911 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.75 137.15 77.55 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.303 2.002 . . . . 0.0 111.897 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.57 -15.03 61.54 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.787 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -67.07 141.29 57.54 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.3 ttt -95.02 123.76 38.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.459 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 mt -86.93 112.94 22.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' A' ' 89' ' ' ALA . 40.8 mt -94.87 -61.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.89 0.376 . . . . 0.0 111.685 -178.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -124.52 139.8 53.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.83 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.0 t -133.17 100.71 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.661 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 m120 62.29 67.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.382 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 73.47 -54.22 0.69 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.133 0.973 . . . . 0.0 113.314 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.5 m -63.01 119.34 6.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.55 0.691 . . . . 0.0 111.256 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -93.9 138.01 32.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.03 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -110.01 9.28 24.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.629 0.252 . . . . 0.0 111.464 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.56 -27.98 69.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.973 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -118.63 27.76 8.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.0 110.606 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 92.3 mtp -118.46 161.25 20.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.362 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.97 151.9 41.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.135 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -52.55 -49.63 64.5 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.357 0.411 . . . . 0.0 111.681 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.56 -49.6 76.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.654 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -38.9 88.49 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.224 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.22 -46.61 85.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.096 0.474 . . . . 0.0 110.185 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.7 t -66.38 -38.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.464 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 72' ' ' ARG . 62.9 mtt180 -58.12 -51.6 69.02 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.264 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.98 -42.38 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.47 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.8 tp -58.3 -41.27 84.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.064 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -58.58 -42.98 89.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.189 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -61.96 -39.38 91.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.42 -44.02 63.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.768 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.1 t -63.82 -33.48 62.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.332 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 m -88.14 8.11 28.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.309 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.24 160.16 16.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.939 0.399 . . . . 0.0 110.606 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 m -89.11 132.26 34.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.06 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.7 160.08 8.77 Favored Glycine 0 N--CA 1.452 -0.269 0 N-CA-C 111.911 -0.475 . . . . 0.0 111.911 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.5 138.78 67.0 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.989 2.459 . . . . 0.0 112.331 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.535 HD12 HD21 ' A' ' 15' ' ' LEU . 20.2 mt -105.77 128.15 60.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.5 m -103.11 110.97 23.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.184 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.0 mt -102.78 129.11 49.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.062 0.458 . . . . 0.0 111.331 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.15 101.25 8.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.9 m -106.36 147.78 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.286 0.565 . . . . 0.0 112.222 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.697 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -111.14 110.87 21.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.478 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.246 -179.343 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.3 t30 . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.6 mt -97.6 125.63 50.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.89 0.376 . . . . 0.0 110.454 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.7 mt -123.89 131.9 72.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.136 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -106.79 117.02 32.96 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.2 m -114.22 145.84 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.763 0.316 . . . . 0.0 111.423 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 t -107.55 128.42 54.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.425 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 29.0 mt -108.04 155.7 20.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.115 0.483 . . . . 0.0 111.564 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -99.88 113.17 25.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.619 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 98.8 mmm -95.96 20.53 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.585 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -99.06 -58.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -72.66 -28.83 62.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.252 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -105.75 155.35 19.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.613 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -117.19 -30.65 5.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.622 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -126.87 154.68 44.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.008 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.1 mt -78.78 -35.19 44.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.77 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.43 50.37 9.97 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.395 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 pt -152.65 107.16 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -71.17 137.36 48.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.347 0.594 . . . . 0.0 110.959 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.6 mm -94.07 119.52 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.081 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.5 t -114.07 116.52 52.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.96 137.18 13.74 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.437 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -95.85 114.61 26.35 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -123.02 104.37 9.18 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.994 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -102.7 -151.27 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -62.52 -43.21 99.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.01 0.433 . . . . 0.0 110.442 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -70.37 -61.42 1.78 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.306 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.38 -37.83 2.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.53 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -81.06 68.51 7.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.366 0.603 . . . . 0.0 110.95 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.04 -24.25 25.37 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.328 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.2 172.09 36.9 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.613 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 pt -112.51 132.76 60.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.038 0.447 . . . . 0.0 110.594 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -121.29 155.93 33.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.621 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.6 mm -72.71 124.54 29.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.131 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.75 -82.88 1.02 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.147 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.57 145.84 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.57 0.224 . . . . 0.0 110.72 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.414 HD11 ' HA ' ' A' ' 49' ' ' GLU . 28.9 mt -100.04 128.55 51.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.035 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.0 mmt -98.28 127.31 44.15 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.598 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -64.28 139.36 58.76 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.567 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.4 -9.99 61.13 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.366 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.02 168.69 47.31 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.337 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -62.18 -37.68 86.2 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.1 t -73.79 -33.53 37.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.877 0.37 . . . . 0.0 110.936 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.57 -19.92 65.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.393 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.97 -16.22 30.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.892 0.377 . . . . 0.0 110.986 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.453 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 10.1 t70 -89.82 -64.92 1.07 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.013 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.84 -15.37 63.2 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.562 -0.828 . . . . 0.0 114.347 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.453 ' HB2' ' OD1' ' A' ' 45' ' ' ASP . 67.0 mtm180 -69.52 -24.29 63.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.857 0.829 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 54.8 mt -96.93 137.88 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' HA ' HD11 ' A' ' 36' ' ' ILE . 10.1 pt-20 -138.65 161.71 57.05 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.557 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.96 124.45 16.31 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.329 2.019 . . . . 0.0 111.547 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.04 -19.84 17.52 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.661 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -64.29 133.46 52.76 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.8 ttt -91.1 131.72 36.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.299 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.9 mt -83.85 121.92 28.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.931 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.602 HD11 ' HB2' ' A' ' 89' ' ' ALA . 47.3 mt -107.17 -68.15 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.167 0.508 . . . . 0.0 110.731 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.426 ' H ' ' HB ' ' A' ' 87' ' ' THR . 3.7 tt0 -111.66 123.23 49.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.822 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.556 ' O ' HG22 ' A' ' 60' ' ' VAL . 77.7 t -117.16 106.39 20.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.987 0.422 . . . . 0.0 110.67 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.422 ' OD1' ' HA ' ' A' ' 84' ' ' ILE . 2.1 t30 55.61 60.66 3.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.464 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.6 t0 78.5 -36.96 0.2 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 57' ' ' VAL . 7.5 m -79.4 141.64 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.239 0.543 . . . . 0.0 111.014 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -102.85 139.74 38.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.263 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -116.63 4.31 13.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.399 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -56.24 -35.03 66.92 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -107.8 20.04 19.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 93.5 mtp -116.11 164.22 14.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.0 p -75.67 158.92 31.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.549 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -59.81 -41.19 90.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.11 0.481 . . . . 0.0 110.247 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.0 -51.64 67.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.999 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -65.63 -36.9 85.04 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.555 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.43 -48.15 77.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.916 0.389 . . . . 0.0 110.328 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.66 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 93.2 t -67.64 -39.15 81.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.417 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -55.16 -48.82 73.2 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.586 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 36.6 t -68.29 -40.5 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 0.0 110.216 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.451 HD13 HG11 ' A' ' 57' ' ' VAL . 26.7 tp -58.63 -39.71 81.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.554 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 41.3 mtp85 -56.56 -45.29 81.37 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.418 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 73.6 mm-40 -66.01 -40.53 91.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.158 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.23 -42.73 88.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.072 0.463 . . . . 0.0 110.808 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.1 t -67.6 -35.08 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.307 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.2 m -91.56 19.36 6.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.413 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 1.5 tp-100 -118.25 147.26 43.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.37 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.01 125.45 28.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.324 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.03 156.33 6.74 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.59 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.33 143.75 48.97 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.422 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 69.8 mt -118.18 127.2 75.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.552 -178.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 51.0 m -102.93 123.62 46.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.504 178.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.8 mt -107.95 129.08 55.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.958 0.408 . . . . 0.0 111.679 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.426 ' HB ' ' H ' ' A' ' 56' ' ' GLN . 1.3 m -108.11 103.71 12.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.159 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 m -108.0 150.41 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.32 0.581 . . . . 0.0 112.415 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.602 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -107.6 109.33 20.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.163 178.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.358 -0.829 . . . . 0.0 109.832 -179.818 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 66.4 t30 . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.8 mt -95.92 122.83 47.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.984 0.421 . . . . 0.0 110.588 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.7 mt -120.14 128.32 75.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.04 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -107.41 124.07 49.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.112 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 85' ' ' SER . 18.0 m -118.72 145.28 24.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.076 0.465 . . . . 0.0 111.737 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.21 115.76 30.72 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.525 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 36.6 mt -99.21 145.6 27.07 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.565 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -96.73 119.66 35.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.424 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.6 mmm -99.94 13.59 33.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.951 0.405 . . . . 0.0 111.397 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -83.89 -51.17 7.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -86.08 -30.46 22.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.55 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -97.03 144.86 26.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.231 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -108.6 -13.61 14.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.441 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -146.54 162.06 39.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.189 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.6 mt -84.02 -36.99 22.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.167 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.43 53.81 6.5 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.995 -0.548 . . . . 0.0 113.036 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -157.85 107.91 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 122.494 0.317 . . . . 0.0 110.559 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.1 p -75.46 130.34 38.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.153 0.501 . . . . 0.0 110.302 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.1 mm -83.81 130.22 36.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.434 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.5 t -121.61 114.49 43.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.934 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.74 132.87 11.42 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.946 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.407 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 9.4 tt0 -85.43 116.13 23.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.819 0.342 . . . . 0.0 110.232 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.2 m -98.25 164.64 12.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.09 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -172.94 -175.25 1.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.53 -24.13 66.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.304 0.573 . . . . 0.0 109.718 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -84.87 -76.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.626 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.57 -31.75 2.55 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.839 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -80.37 53.18 1.75 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.391 0.615 . . . . 0.0 111.436 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -77.52 -33.6 42.74 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.173 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.98 174.45 39.41 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.074 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 pt -111.74 131.35 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.112 0.482 . . . . 0.0 111.524 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -117.82 165.82 13.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.448 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.62 118.67 32.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.739 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -79.4 -76.94 0.94 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.652 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 m -132.07 143.8 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.523 -0.398 . . . . 0.0 110.97 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.751 HD11 ' HA ' ' A' ' 49' ' ' GLU . 66.2 mt -91.48 141.6 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.383 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 17.9 mmt -106.7 122.52 46.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.137 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -59.62 120.93 10.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.751 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.14 -6.67 28.88 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.248 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.42 166.28 45.56 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.573 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -59.9 -37.44 79.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.683 0.277 . . . . 0.0 111.673 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.423 ' CG1' ' HB ' ' A' ' 48' ' ' ILE . 98.6 t -72.15 -34.92 51.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.022 0.439 . . . . 0.0 110.82 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.42 -23.6 67.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.6 -23.0 40.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.354 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -81.39 -65.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.81 -17.75 54.04 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.37 -0.919 . . . . 0.0 114.491 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -76.23 -21.46 56.36 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.021 0.91 . . . . 0.0 111.882 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.423 ' HB ' ' CG1' ' A' ' 42' ' ' VAL . 32.7 mt -96.13 133.44 37.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.764 0.316 . . . . 0.0 110.151 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.751 ' HA ' HD11 ' A' ' 36' ' ' ILE . 8.4 pt-20 -142.82 165.21 27.73 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.17 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -53.3 126.39 21.49 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.359 2.039 . . . . 0.0 111.759 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.05 -20.36 16.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.328 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 95.3 m-20 -68.28 136.81 54.05 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.1 ttt -97.98 130.35 44.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.756 0.312 . . . . 0.0 111.581 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.7 mt -82.61 108.69 16.19 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 89' ' ' ALA . 49.4 mt -94.22 -51.88 4.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.007 0.432 . . . . 0.0 111.397 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -131.56 138.74 49.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.983 -178.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.663 ' O ' HG22 ' A' ' 60' ' ' VAL . 98.8 t -134.84 109.51 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.8 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m120 55.8 56.87 5.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.558 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 73.35 -14.74 0.6 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 57' ' ' VAL . 2.3 m -88.61 138.0 20.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 121.66 -0.65 . . . . 0.0 110.332 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -100.33 132.16 45.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.761 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -105.65 -3.98 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.393 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -65.02 -17.22 64.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.953 0.406 . . . . 0.0 111.683 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -117.1 18.85 14.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.966 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.5 mtp -123.38 155.86 36.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.759 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -68.72 157.84 35.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.538 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -56.44 -45.96 80.54 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.939 0.399 . . . . 0.0 110.626 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.41 -44.26 91.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.764 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.476 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 4.2 m-20 -62.37 -40.34 96.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.159 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.22 88.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.567 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 86.9 t -65.81 -41.44 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.409 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.476 ' HD2' ' HA ' ' A' ' 69' ' ' ASP . 91.3 mtt180 -55.99 -49.59 73.21 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.237 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.55 -41.96 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 78' ' ' VAL . 35.9 tp -57.39 -43.63 83.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.659 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 24.1 mtp180 -57.88 -35.79 71.49 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.439 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 64.0 mm-40 -65.88 -37.55 86.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.0 mt -77.07 -41.11 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.5 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 74' ' ' LEU . 87.8 t -65.16 -31.87 55.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.2 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.6 m -97.2 25.69 5.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.111 0.482 . . . . 0.0 111.188 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 2.3 tp-100 -124.83 151.39 45.3 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.77 118.39 27.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.915 0.388 . . . . 0.0 110.839 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.22 171.11 23.72 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.739 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.99 135.96 28.67 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.698 2.265 . . . . 0.0 112.253 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 72.8 mt -114.27 122.48 68.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.155 0.502 . . . . 0.0 110.69 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.4 m -114.73 120.16 39.14 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.612 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 mt -106.69 129.96 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.391 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -107.74 100.03 9.45 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 20.1 m -105.08 154.02 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.159 0.504 . . . . 0.0 111.777 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.477 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -113.02 120.86 42.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.496 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 23.6 mtpp . . . . . 0 C--O 1.253 1.247 0 CA-C-O 118.338 -0.839 . . . . 0.0 109.5 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.7 mt -99.57 130.72 48.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.869 0.366 . . . . 0.0 111.132 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 mt -124.49 129.02 73.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.584 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -109.27 118.15 35.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.998 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -117.41 143.49 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.812 0.339 . . . . 0.0 111.372 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 t -109.55 113.62 26.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.1 mt -94.52 137.63 33.41 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -84.04 112.38 20.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.506 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.0 mmm -96.92 20.05 11.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.248 0.547 . . . . 0.0 110.853 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -85.07 -49.82 7.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.532 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -88.66 -30.51 19.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.374 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -93.96 149.51 21.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.735 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -112.92 -10.36 13.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.06 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -151.14 162.05 41.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.816 0.341 . . . . 0.0 110.618 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -83.2 -39.29 21.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.5 53.44 5.51 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.433 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.56 HG22 HG12 ' A' ' 36' ' ' ILE . 1.8 pt -155.21 106.68 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 116.636 0.218 . . . . 0.0 110.691 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.8 p -73.67 118.61 16.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.498 0.666 . . . . 0.0 110.374 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.0 mm -75.29 131.92 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.137 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.5 t -114.16 124.35 70.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.054 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.37 113.78 4.64 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.925 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.4 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.0 tt0 -76.15 115.12 15.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.11 0.481 . . . . 0.0 110.401 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.2 m -112.88 142.11 45.93 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.578 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -143.37 -160.74 1.15 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.151 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.06 -44.66 88.24 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.97 0.169 . . . . 0.0 111.113 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -72.79 -66.0 0.72 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.062 0.458 . . . . 0.0 110.054 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.46 -42.79 1.01 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.519 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -74.08 92.7 2.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.335 0.588 . . . . 0.0 110.591 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -114.0 -29.73 2.73 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.842 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.55 162.22 36.94 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.611 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.5 pt -101.13 128.97 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.135 0.493 . . . . 0.0 110.398 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 44.3 m-85 -117.74 162.4 18.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.235 -178.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.4 mm -82.05 121.08 34.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.742 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.32 -88.37 1.33 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.966 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.3 m -113.99 131.34 56.37 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.045 0.45 . . . . 0.0 111.634 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.56 HG12 HG22 ' A' ' 17' ' ' ILE . 47.2 mt -91.86 135.3 27.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.485 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 20.0 mmt -104.46 131.51 51.76 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.962 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -67.77 131.1 44.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.671 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.92 -9.78 34.26 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.33 164.98 36.96 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.706 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.16 73.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.56 0.219 . . . . 0.0 111.409 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.8 t -73.39 -39.28 54.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.681 0.276 . . . . 0.0 111.012 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.99 73.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.196 0.522 . . . . 0.0 110.246 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.73 -16.73 58.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.751 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -82.49 -65.55 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.12 -7.94 69.73 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.578 -0.82 . . . . 0.0 114.949 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -85.82 -26.08 25.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.272 1.036 . . . . 0.0 111.522 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.8 mt -92.52 137.59 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -138.95 162.84 50.31 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.613 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.21 129.7 36.21 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.549 2.166 . . . . 0.0 112.118 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.88 -20.28 22.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.656 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -72.8 143.29 47.95 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.56 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 25.0 ttt -100.04 139.83 35.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.741 0.305 . . . . 0.0 111.501 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.3 125.36 34.63 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' A' ' 89' ' ' ALA . 14.6 mt -103.6 -66.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.146 0.498 . . . . 0.0 111.021 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -121.62 137.37 54.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.632 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.1 t -133.97 101.06 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.083 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 4.7 m-20 64.18 58.89 1.1 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 28.7 m-20 77.91 -45.91 0.44 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.941 -1.027 . . . . 0.0 113.4 178.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 m -67.94 130.12 32.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.49 0.662 . . . . 0.0 110.951 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -98.44 133.62 42.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.538 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -107.19 -2.85 20.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.284 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.74 -41.2 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.111 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -108.31 30.0 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.042 0.448 . . . . 0.0 111.393 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.5 mtp -118.07 162.89 17.45 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.256 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.29 147.28 40.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.066 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -51.29 -47.47 62.53 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.019 0.438 . . . . 0.0 111.13 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.46 -51.32 70.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.367 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.427 ' O ' HG23 ' A' ' 73' ' ' VAL . 10.5 m-20 -65.31 -37.93 88.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.756 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.78 86.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.963 0.411 . . . . 0.0 110.296 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.607 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 78.0 t -65.71 -41.02 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.333 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -57.53 -50.86 71.7 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.702 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 69' ' ' ASP . 44.7 t -61.84 -41.32 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.749 0.309 . . . . 0.0 110.276 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.64 -39.4 84.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.149 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.607 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 59.7 mtp85 -58.64 -44.4 90.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -61.63 -45.08 95.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.654 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.17 -43.71 84.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.085 0.469 . . . . 0.0 110.716 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.3 t -63.24 -30.29 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.59 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.5 m -89.56 -1.46 58.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.875 0.369 . . . . 0.0 110.819 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.16 164.71 11.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.606 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.82 144.21 25.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.19 161.33 10.68 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.193 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -69.54 135.84 32.01 Favored 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 122.354 2.036 . . . . 0.0 111.985 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -107.72 121.55 60.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.788 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -100.27 119.42 38.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.76 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.8 mt -105.85 129.94 53.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.657 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.24 103.32 11.46 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.6 m -107.49 151.32 9.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.286 0.565 . . . . 0.0 112.409 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.593 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -106.57 110.86 23.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.48 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.282 -0.865 . . . . 0.0 110.734 -179.026 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.818 0.342 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 88' ' ' VAL . 7.5 mt -89.54 119.41 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.873 0.368 . . . . 0.0 110.96 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.4 HG22 HG13 ' A' ' 5' ' ' VAL . 41.7 mt -113.46 124.24 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.865 0.364 . . . . 0.0 110.411 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.2 m -96.91 113.77 25.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.841 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.4 HG13 HG22 ' A' ' 3' ' ' ILE . 26.5 m -122.52 143.1 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.997 0.427 . . . . 0.0 111.507 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -106.67 142.08 36.9 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.475 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 20.2 mt -117.05 142.57 46.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.156 0.503 . . . . 0.0 111.599 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -87.56 115.83 25.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.348 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 95.9 mmm -100.06 15.15 28.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.967 0.413 . . . . 0.0 111.437 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -86.94 -50.19 6.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.349 0.595 . . . . 0.0 109.635 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -87.79 -19.0 28.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.232 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -108.82 136.92 47.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.357 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -99.34 -10.37 22.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -152.07 167.66 27.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.695 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.7 mt -88.32 -39.09 14.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.51 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.4 47.3 9.1 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.541 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.462 HG22 HG12 ' A' ' 36' ' ' ILE . 2.7 pt -148.9 106.75 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 116.801 0.3 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.6 p -73.43 130.24 39.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.393 0.616 . . . . 0.0 110.85 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 mm -87.67 129.71 38.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.732 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.1 t -119.1 116.25 50.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.001 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.58 131.95 10.74 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.929 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -87.98 102.88 15.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.063 0.458 . . . . 0.0 110.203 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -98.02 148.62 23.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.21 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -165.38 -167.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.72 -40.71 69.52 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.631 0.253 . . . . 0.0 110.963 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -81.41 -65.58 0.99 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.82 -26.11 6.29 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.222 -0.99 . . . . 0.0 113.714 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -85.28 44.11 1.07 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.156 0.503 . . . . 0.0 111.421 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.76 -32.51 81.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.626 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.69 168.58 27.52 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.334 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.4 pt -102.8 130.23 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.158 0.504 . . . . 0.0 111.057 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -118.54 157.26 27.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.304 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.6 mm -78.08 118.92 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.23 -68.43 1.44 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.693 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 p -137.27 144.06 42.51 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.43 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.462 HG12 HG22 ' A' ' 17' ' ' ILE . 61.7 mt -102.64 134.73 42.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.1 mmt -108.74 135.04 50.62 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.972 0.415 . . . . 0.0 110.674 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -66.36 135.57 54.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.31 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.85 -14.3 37.92 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.433 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.96 164.73 41.05 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.382 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.475 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.63 -36.3 78.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.705 0.288 . . . . 0.0 111.625 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -70.99 -35.31 58.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.824 0.345 . . . . 0.0 110.825 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.99 -22.95 66.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.503 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.92 -14.49 56.06 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.789 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -88.62 -73.29 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.1 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.08 -20.5 28.53 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.931 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -72.44 -31.11 65.2 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 117.391 0.596 . . . . 0.0 111.876 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.7 mt -86.39 137.56 20.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HA ' HD11 ' A' ' 36' ' ' ILE . 8.0 pt-20 -141.42 162.1 49.08 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.169 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.13 129.92 37.46 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.043 1.829 . . . . 0.0 111.062 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.71 -13.85 32.35 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.426 -178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 86.3 m-20 -69.89 134.89 48.92 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.7 ttt -96.79 130.39 44.06 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.692 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.9 mt -87.95 125.54 34.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 89' ' ' ALA . 75.1 mt -103.04 -71.24 0.73 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.125 0.488 . . . . 0.0 111.097 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -112.16 131.02 55.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.546 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.551 ' O ' HG23 ' A' ' 60' ' ' VAL . 78.0 t -122.8 103.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.596 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.6 m120 55.33 70.89 0.58 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.614 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 76.57 -50.51 0.58 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.901 0.881 . . . . 0.0 113.01 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -68.67 127.15 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.032 0.444 . . . . 0.0 111.95 -178.681 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -99.4 129.36 45.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.697 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -102.42 14.81 30.97 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -69.99 -14.94 62.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.637 0.256 . . . . 0.0 111.623 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -120.76 17.72 11.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.92 0.391 . . . . 0.0 110.84 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 76.7 mtp -122.97 149.55 44.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.006 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m -71.51 160.34 32.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.711 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -52.24 -44.24 64.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.246 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.34 -46.9 79.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.151 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.79 -37.46 67.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.554 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.24 -47.07 79.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.197 0.522 . . . . 0.0 110.599 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 85.6 t -69.47 -35.34 66.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.512 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -55.88 -55.18 35.62 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.801 0.334 . . . . 0.0 110.941 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.64 -41.55 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.504 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.08 -43.69 91.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.065 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 44.6 mtp85 -59.46 -37.01 77.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.798 0.333 . . . . 0.0 110.882 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -70.27 -40.27 74.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.6 mt -69.5 -41.63 80.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.167 0.508 . . . . 0.0 110.077 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.1 t -62.69 -32.05 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.617 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.6 m -91.22 18.57 6.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 111.274 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.23 160.66 18.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.847 0.356 . . . . 0.0 110.171 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.58 98.36 8.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.39 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 178.64 169.47 39.39 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.862 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.89 126.73 15.74 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.679 2.252 . . . . 0.0 111.961 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 84.0 mt -103.99 129.36 56.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.567 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 m -124.86 125.95 44.79 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.0 mt -115.83 145.55 42.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.468 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 24.5 p -113.96 105.32 13.1 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 2' ' ' ILE . 10.6 m -96.06 127.35 48.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.301 0.572 . . . . 0.0 112.079 -178.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.479 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -93.7 94.99 8.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.91 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 19.9 mtpp . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.328 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.5 t30 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.94 0.4 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 63.1 mt -97.02 115.32 36.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.218 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.7 mt -114.72 137.78 47.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.906 0.384 . . . . 0.0 110.656 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -114.14 112.88 23.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.551 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 m -113.14 143.07 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.87 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -107.45 123.57 48.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.434 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 41.1 mt -93.29 142.26 27.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.4 -178.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -91.9 112.23 24.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.1 mmm -95.12 13.13 26.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.491 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -86.52 -48.09 8.68 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -91.44 -9.99 42.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.623 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -115.97 155.3 28.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.832 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -120.95 -11.57 8.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.336 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -147.9 160.68 42.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.194 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 mt -87.8 -33.5 18.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.982 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.14 52.47 11.09 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.474 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -154.3 107.04 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 116.714 0.257 . . . . 0.0 110.638 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.5 p -74.14 123.69 24.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.367 0.603 . . . . 0.0 110.942 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.1 mm -81.81 123.88 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.094 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.4 t -116.24 115.8 50.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.295 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.73 132.45 11.16 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.816 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.411 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 9.1 tt0 -91.57 115.12 27.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.651 0.263 . . . . 0.0 110.693 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.55 162.56 12.85 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -163.84 -152.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -51.44 43.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.76 0.314 . . . . 0.0 110.506 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -77.04 -61.67 1.9 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.108 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.5 -25.33 3.62 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.367 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -77.46 68.14 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.5 0.667 . . . . 0.0 111.378 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -93.48 -35.29 6.27 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.155 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.29 161.96 34.08 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.412 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 pt -97.65 134.58 35.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.974 0.416 . . . . 0.0 110.995 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 59.5 m-85 -121.31 156.69 32.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.161 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.9 mm -74.52 112.95 12.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.04 -69.78 1.37 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.014 -0.612 . . . . 0.0 113.068 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.73 143.43 39.05 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.777 0.322 . . . . 0.0 111.52 -179.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -94.15 132.38 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.794 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 17.0 mmt -105.79 123.88 48.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.988 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -61.39 128.81 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.561 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.59 -15.81 19.5 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.13 166.01 43.9 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.414 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.434 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.95 -34.87 75.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.2 t -71.33 -32.93 48.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.54 -19.62 65.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.982 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.74 -11.27 54.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.247 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -96.9 -81.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.272 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.3 -13.02 16.27 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.201 -1.0 . . . . 0.0 114.23 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -73.7 -24.28 59.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.748 0.774 . . . . 0.0 111.023 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.1 mt -95.86 139.92 18.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.091 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -144.44 164.33 29.12 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.365 -0.38 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.85 121.91 10.89 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.368 2.046 . . . . 0.0 111.219 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.55 -19.94 9.64 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.672 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.411 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 99.9 m-20 -67.52 135.64 53.32 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.499 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 25.7 ttt -95.07 134.08 38.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.635 0.255 . . . . 0.0 110.791 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.2 mt -89.01 119.69 29.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 89' ' ' ALA . 40.1 mt -100.44 -70.18 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.132 0.491 . . . . 0.0 110.512 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -114.49 132.09 56.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.83 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.5 t -124.92 91.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 64.49 75.74 0.37 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.882 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 72.67 -51.27 0.71 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.102 -0.954 . . . . 0.0 113.387 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 m -69.93 130.12 34.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.123 0.487 . . . . 0.0 111.709 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -107.07 138.14 43.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.887 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -111.19 10.13 21.83 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -55.99 -37.09 68.63 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -110.4 19.62 18.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.791 0.329 . . . . 0.0 111.263 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 94.0 mtp -113.43 153.88 27.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.806 0.336 . . . . 0.0 110.531 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.03 152.81 39.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.769 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -54.06 -46.34 71.92 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.097 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -62.05 -47.22 85.7 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.749 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -60.84 -38.28 84.95 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.784 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.03 83.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.271 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.4 t -68.82 -37.36 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.62 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -55.58 -56.18 23.36 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.648 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.5 -39.46 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.283 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 78' ' ' VAL . 45.2 tp -57.47 -44.54 84.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.684 179.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -58.72 -37.58 76.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.386 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -67.12 -39.92 86.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.944 0.402 . . . . 0.0 110.569 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.3 mt -70.97 -41.97 77.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.46 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 74' ' ' LEU . 57.8 t -64.24 -31.16 52.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.537 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.8 m -91.6 19.19 6.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.545 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -115.64 157.3 24.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.12 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.99 122.04 38.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.961 0.41 . . . . 0.0 111.201 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.74 179.72 26.73 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.165 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.64 121.2 5.44 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.118 2.545 . . . . 0.0 111.917 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.3 mt -101.94 118.91 49.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.693 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.2 m -100.45 129.88 46.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.627 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.5 mt -111.37 124.34 52.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.23 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.4 m -105.44 100.77 10.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.1 m -101.54 149.27 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -177.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.43 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -112.34 107.68 16.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.412 178.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 22.8 mtpp . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.232 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.3 mt -94.88 119.82 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.873 0.368 . . . . 0.0 110.729 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 87.5 mt -118.54 134.34 62.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m -105.12 97.3 7.17 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.53 HG21 HD11 ' A' ' 48' ' ' ILE . 12.0 m -89.02 150.32 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.914 0.387 . . . . 0.0 111.449 -178.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 t -108.74 126.38 52.95 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.2 mt -108.46 130.07 55.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.998 0.428 . . . . 0.0 110.909 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -93.46 116.05 28.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.947 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.6 mmm -98.41 14.08 29.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.083 0.468 . . . . 0.0 111.057 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -80.97 -39.61 25.73 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -110.95 17.99 19.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.092 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -139.71 145.32 38.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -107.96 -23.88 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.872 0.368 . . . . 0.0 110.665 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -140.83 164.92 28.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.545 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.4 mt -84.77 -38.67 19.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.97 49.16 6.55 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.682 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -152.84 104.95 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.77 0.285 . . . . 0.0 110.903 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.9 p -72.8 121.58 20.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.311 0.577 . . . . 0.0 110.354 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.4 mm -79.23 130.15 36.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.965 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.3 t -119.06 120.73 64.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.22 115.88 4.58 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.135 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.488 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 8.7 tt0 -75.76 116.47 16.51 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.8 m -112.78 154.1 26.76 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.189 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -158.55 -169.1 2.62 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.28 -39.07 89.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.887 0.375 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -68.85 -50.1 52.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.449 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.4 -43.57 1.65 Allowed Glycine 0 C--O 1.237 0.334 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.525 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.56 87.75 5.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.54 0.686 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -105.65 -34.52 3.28 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.206 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.29 159.94 24.22 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.358 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 pt -99.1 127.09 52.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.123 0.487 . . . . 0.0 110.566 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.45 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 61.8 m-85 -118.69 155.3 31.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.007 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 mm -77.71 116.29 20.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.021 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.0 -78.13 1.02 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.006 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.33 138.74 54.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.951 0.405 . . . . 0.0 111.879 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.7 mt -97.78 136.88 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.339 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.0 mmt -111.46 132.85 54.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.895 0.379 . . . . 0.0 110.79 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -67.55 126.35 29.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.275 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.49 -14.2 13.3 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.553 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.43 167.28 40.87 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.227 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.49 74.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.775 0.321 . . . . 0.0 111.187 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.4 t -69.53 -34.45 61.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.24 -22.01 66.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.718 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.71 -13.5 45.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.422 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 14.2 t70 -88.95 -68.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.085 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.08 -18.66 54.18 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 120.801 -0.714 . . . . 0.0 114.551 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' HB2' ' OD1' ' A' ' 45' ' ' ASP . 80.0 mtm180 -75.36 -26.71 58.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 117.807 0.803 . . . . 0.0 111.384 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.53 HD11 HG21 ' A' ' 5' ' ' VAL . 64.4 mt -85.34 134.26 27.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -135.45 162.81 55.07 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.306 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.96 125.88 19.97 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.234 1.956 . . . . 0.0 111.159 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.39 -13.98 30.52 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.132 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -65.75 137.34 57.2 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.45 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 28.6 ttt -97.41 130.54 44.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.688 0.28 . . . . 0.0 111.286 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.28 115.38 26.72 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.8 mt -100.44 -47.27 4.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.126 0.488 . . . . 0.0 110.914 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -127.36 138.14 52.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.767 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' HG22 ' A' ' 60' ' ' VAL . 80.8 t -136.58 109.12 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 3.7 m-20 54.91 59.81 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.216 0.322 . . . . 0.0 111.696 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 44.1 m-20 76.82 -45.51 0.49 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 57' ' ' VAL . 17.9 m -67.78 140.46 19.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.367 0.603 . . . . 0.0 111.547 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -98.73 138.5 35.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.744 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -112.57 1.91 16.01 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -64.03 -31.24 72.36 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.704 0.287 . . . . 0.0 110.919 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -105.16 31.83 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.068 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 72.2 mtp -135.13 159.37 41.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.3 p -74.83 159.34 32.05 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -55.71 -42.89 75.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.257 0.551 . . . . 0.0 110.089 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.0 -51.17 67.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.418 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.41 ' O ' HG23 ' A' ' 73' ' ' VAL . 8.6 m-20 -63.7 -36.2 83.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.48 77.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.054 0.454 . . . . 0.0 110.161 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 86.4 t -67.34 -36.43 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.313 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -56.64 -48.03 78.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.409 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 69' ' ' ASP . 28.3 t -69.32 -41.81 81.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.982 0.42 . . . . 0.0 110.062 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.3 tp -56.24 -42.04 76.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.948 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 31.6 mtp85 -58.37 -43.14 88.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.279 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -64.92 -37.94 89.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.69 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.61 -42.64 71.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.403 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.2 t -64.33 -39.58 86.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.386 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.6 m -78.12 -4.43 47.38 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.659 0.266 . . . . 0.0 111.686 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.42 155.02 17.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.722 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.79 168.51 19.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.964 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.16 -179.72 26.02 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.127 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.34 157.13 14.67 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.78 2.32 . . . . 0.0 112.12 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.5 mt -126.59 120.94 57.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.9 m -105.22 118.2 35.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.6 mt -107.44 133.73 51.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.012 0.434 . . . . 0.0 111.511 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 m -109.09 99.86 9.11 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.4 m -99.79 142.72 14.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.082 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.23 107.76 18.86 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.725 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.263 -179.546 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.953 0.406 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.4 mt -85.31 125.92 40.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.45 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.0 mt -128.55 133.78 65.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.647 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.93 120.87 42.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.024 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 85' ' ' SER . 19.6 m -113.84 139.46 39.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.771 0.319 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 m -106.58 107.64 18.75 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.478 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 58.1 mt -86.28 137.52 32.54 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.546 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -86.56 114.32 23.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.692 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mmm -97.4 13.81 28.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.488 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -85.76 -48.42 8.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.408 0.623 . . . . 0.0 109.39 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -91.68 -24.82 19.38 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.48 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -101.34 141.1 34.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.216 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -103.04 -28.73 11.81 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -132.94 156.12 47.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.201 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.3 mt -80.91 -36.93 30.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . 75.82 49.19 9.08 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.651 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pt -148.46 104.0 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 116.955 0.378 . . . . 0.0 110.82 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.413 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 80.0 p -73.23 118.62 16.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.401 0.619 . . . . 0.0 110.713 -179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.405 ' H ' ' H19' ' A' ' 91' ' ' SUZ . 7.5 mm -76.89 128.32 37.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.28 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.05 117.31 54.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.31 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.6 129.92 9.69 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.865 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -88.4 115.66 26.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.843 0.354 . . . . 0.0 110.581 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.96 140.7 37.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.92 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -150.27 -166.05 2.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.781 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.51 -44.36 97.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.559 0.218 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -75.49 -67.72 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.91 -22.49 4.04 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.168 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -83.25 55.84 3.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.412 0.625 . . . . 0.0 110.829 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.62 -25.22 54.31 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.156 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.06 165.93 39.8 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.959 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.8 pt -103.85 132.46 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.035 0.445 . . . . 0.0 110.522 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 56.1 m-85 -121.11 161.69 21.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.111 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.1 mm -81.99 117.71 28.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.984 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.92 -75.28 0.96 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.612 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.8 m -135.5 149.95 49.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.823 0.344 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 71.8 mt -100.14 128.95 51.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.046 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.7 mmt -94.55 123.21 37.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.259 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.27 125.62 24.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.79 -6.28 24.09 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.569 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.33 169.08 34.19 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.465 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.478 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -62.96 -34.63 77.92 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.77 -37.37 73.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.834 0.349 . . . . 0.0 111.0 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.81 -15.76 63.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.266 0.555 . . . . 0.0 110.56 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.99 -12.73 43.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.619 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -95.18 -74.14 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.962 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.82 -23.49 17.01 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.932 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -68.01 -33.28 74.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.404 0.602 . . . . 0.0 111.179 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.8 mt -85.36 135.91 23.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -141.06 161.16 55.04 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.089 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.79 120.3 6.88 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.459 2.106 . . . . 0.0 112.055 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.47 -7.95 22.49 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.611 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 85.3 m-20 -72.95 141.77 47.8 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.498 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 27.6 ttt -98.77 134.53 41.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.907 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.4 mt -89.29 120.6 30.79 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.806 HD11 ' HB2' ' A' ' 89' ' ' ALA . 23.6 mt -103.92 -64.77 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.167 0.508 . . . . 0.0 111.111 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 8.2 tt0 -120.9 134.89 55.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.462 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.69 ' O ' HG22 ' A' ' 60' ' ' VAL . 65.7 t -128.8 100.13 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 8.3 m120 58.86 60.44 2.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.383 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 14.3 m-20 77.39 -38.3 0.28 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.306 -0.861 . . . . 0.0 113.226 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 57' ' ' VAL . 2.3 m -66.58 142.12 17.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.143 0.497 . . . . 0.0 110.812 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -109.86 131.96 54.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -110.84 0.48 17.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.649 0.261 . . . . 0.0 111.282 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -61.9 -32.16 72.51 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -117.16 33.12 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.347 0.594 . . . . 0.0 110.606 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.2 mtp -121.64 160.68 23.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.55 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.05 149.94 47.14 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -53.08 -51.28 62.36 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.126 0.489 . . . . 0.0 110.802 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 1.3 m-20 -63.69 -42.53 97.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.913 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -63.99 -35.49 80.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.091 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.29 97.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.78 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.7 t -67.64 -34.99 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.213 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 78.2 mtt180 -58.71 -54.59 45.31 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.123 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.47 -38.32 81.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.513 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' O ' HG23 ' A' ' 78' ' ' VAL . 46.5 tp -59.3 -42.9 92.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.433 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -60.48 -35.17 75.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.212 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.31 -34.28 77.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.927 0.394 . . . . 0.0 110.629 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.5 mt -79.65 -43.25 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.194 0.521 . . . . 0.0 110.18 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 74' ' ' LEU . 69.2 t -64.42 -28.97 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.389 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 m -99.04 28.46 4.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.979 0.419 . . . . 0.0 110.581 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -124.27 -179.1 4.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.171 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.93 140.49 39.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.788 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.12 169.2 12.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.665 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.56 131.07 19.39 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.004 2.469 . . . . 0.0 111.951 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.6 mt -102.16 116.63 46.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.195 0.521 . . . . 0.0 110.614 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 67.6 m -103.71 116.28 32.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.435 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.472 HD23 HG13 ' A' ' 57' ' ' VAL . 96.4 mt -105.19 124.06 48.9 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.939 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -101.75 104.48 15.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.7 m -102.77 151.05 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.806 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -108.32 107.46 18.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.474 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.496 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 25.4 mtpp . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.541 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.717 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 40.8 t30 . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.81 0.338 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.5 mt -88.74 122.9 40.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.568 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 mt -119.48 131.56 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.973 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 m -108.17 110.87 22.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.752 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.646 HG21 HD11 ' A' ' 48' ' ' ILE . 11.6 m -106.82 142.18 20.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.177 0.513 . . . . 0.0 111.883 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 t -109.64 113.19 25.76 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.486 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 58.6 mt -98.34 142.64 29.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.415 0.626 . . . . 0.0 112.233 -177.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -90.65 112.89 24.81 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.472 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.5 mmm -99.35 25.04 7.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -92.13 -55.1 3.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -87.59 -0.56 57.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.318 0.58 . . . . 0.0 109.867 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -119.56 158.44 26.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.681 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -121.63 -15.32 8.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.679 0.276 . . . . 0.0 110.986 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -145.73 159.19 43.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.16 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.2 mt -83.24 -37.51 23.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.765 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.04 48.62 7.53 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.384 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.462 HG13 ' H11' ' A' ' 91' ' ' SUZ . 1.6 pt -144.18 101.61 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 116.636 0.218 . . . . 0.0 111.028 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.422 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 60.5 p -71.08 116.4 11.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.372 0.606 . . . . 0.0 110.23 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.7 mm -73.76 137.88 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.007 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.69 117.26 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.968 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.98 120.05 5.38 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.746 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -87.33 112.91 22.57 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m -113.18 147.74 36.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.586 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -151.4 -171.12 3.85 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.53 -29.88 64.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.98 0.419 . . . . 0.0 110.586 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -83.58 -57.76 3.1 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.86 -34.19 4.59 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.438 -0.887 . . . . 0.0 113.246 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.35 58.61 2.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.13 0.49 . . . . 0.0 111.676 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.54 -39.02 11.23 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.197 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.22 165.87 26.69 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.403 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 pt -101.14 128.6 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.967 0.413 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 58.1 m-85 -118.32 160.01 22.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.176 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.4 mm -81.52 116.78 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.691 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.47 -74.94 1.17 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.097 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.02 146.95 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.008 0.432 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.417 HG12 HG22 ' A' ' 17' ' ' ILE . 21.1 mt -107.77 135.56 46.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.381 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.3 mmt -101.49 128.98 47.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.755 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -64.58 133.78 53.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.549 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.07 -12.02 57.35 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.457 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.07 165.89 51.2 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.681 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.04 -34.98 74.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.578 0.227 . . . . 0.0 111.414 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.7 t -71.26 -40.74 74.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.11 0.481 . . . . 0.0 110.773 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.0 -10.78 53.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.977 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.21 -12.68 43.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.603 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -93.71 -69.03 0.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 110.18 -25.7 15.43 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.329 -0.938 . . . . 0.0 113.706 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -70.08 -31.21 68.68 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 117.238 0.519 . . . . 0.0 111.529 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.646 HD11 HG21 ' A' ' 5' ' ' VAL . 64.8 mt -83.19 135.08 25.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -144.7 160.07 48.69 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -49.85 126.77 17.42 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.615 2.21 . . . . 0.0 111.948 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.66 -16.72 26.06 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.055 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -68.17 139.53 56.11 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.495 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 28.2 ttt -100.25 128.9 46.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.671 0.272 . . . . 0.0 110.972 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.5 mt -85.52 110.51 19.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.105 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.574 HD11 ' HB2' ' A' ' 89' ' ' ALA . 58.0 mt -90.62 -65.23 1.03 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.289 0.566 . . . . 0.0 110.573 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -119.76 134.07 55.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.791 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.544 HG13 HD23 ' A' ' 86' ' ' LEU . 59.2 t -128.11 102.15 8.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.92 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 63.32 64.62 0.82 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.757 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 76.46 -48.04 0.55 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.992 0.917 . . . . 0.0 113.25 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 m -70.64 123.65 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.386 0.612 . . . . 0.0 111.415 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -95.58 126.47 40.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.239 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -99.11 11.46 38.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.75 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.82 -28.48 69.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.704 0.287 . . . . 0.0 111.269 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -110.93 19.28 18.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.067 0.461 . . . . 0.0 111.204 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 97.8 mtp -120.46 159.14 25.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.623 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.3 m -72.79 160.62 31.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -56.37 -48.11 77.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.719 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 1.1 m-20 -60.83 -47.27 87.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.493 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.91 -38.62 82.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.058 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.8 79.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.428 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.448 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 92.5 t -63.81 -35.34 72.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 65.5 mtt85 -58.16 -58.23 9.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.29 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.3 t -65.26 -33.44 63.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.043 0.449 . . . . 0.0 110.185 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.77 -41.28 90.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.013 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 1.1 mtt85 -62.95 -36.77 84.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 30.8 mm-40 -64.38 -35.38 80.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.038 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.6 mt -81.05 -44.0 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.357 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.488 HG21 ' H14' ' A' ' 91' ' ' SUZ . 23.1 t -63.18 -33.22 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.606 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -95.08 17.98 13.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.82 0.343 . . . . 0.0 110.755 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 4.8 tp-100 -114.79 164.08 14.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.739 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.08 132.77 41.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 139.06 -174.16 22.28 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.696 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -83.65 141.9 10.04 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.701 2.268 . . . . 0.0 112.176 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.5 mt -120.45 121.43 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.066 0.46 . . . . 0.0 111.092 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 60.7 m -104.13 126.56 51.34 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.115 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.544 HD23 HG13 ' A' ' 57' ' ' VAL . 87.9 mt -111.93 119.59 39.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.706 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.1 m -99.5 99.6 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.8 m -99.44 145.51 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.406 0.622 . . . . 0.0 112.481 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -107.17 107.09 17.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.813 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.295 -179.508 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.663 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 50.7 t30 . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.905 0.383 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 54.7 mt -90.89 123.27 42.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.877 0.37 . . . . 0.0 111.184 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.3 mt -126.01 129.58 72.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.939 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.7 m -100.98 119.24 38.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.5 m -107.47 137.44 38.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.637 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.4 t -107.91 118.58 37.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.512 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 15.4 mt -108.43 150.98 26.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.43 0.529 . . . . 0.0 112.43 -177.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -92.88 126.46 37.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.758 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.3 mmm -109.22 21.14 17.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.991 0.424 . . . . 0.0 111.028 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -84.91 -54.81 4.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.103 0.477 . . . . 0.0 109.851 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -89.96 -16.85 29.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.23 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -100.18 135.13 42.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.3 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -101.22 -20.13 15.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.711 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -142.08 156.88 45.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.887 0.375 . . . . 0.0 110.766 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.1 mt -82.67 -34.81 27.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.42 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . 74.09 54.86 6.07 Favored Glycine 0 C--O 1.223 -0.586 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.398 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.483 HG13 ' H11' ' A' ' 91' ' ' SUZ . 1.0 OUTLIER -151.31 103.09 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 116.892 0.346 . . . . 0.0 110.857 -179.79 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.411 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 89.7 p -73.64 120.14 18.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.569 0.7 . . . . 0.0 110.658 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 mm -77.81 125.72 37.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.528 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.2 t -116.49 117.5 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.981 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.72 129.18 9.64 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.991 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.493 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 6.7 tt0 -97.0 121.74 39.22 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -129.57 150.34 50.94 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.102 0.477 . . . . 0.0 110.623 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -142.05 -147.1 0.2 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -60.41 -46.11 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.961 0.41 . . . . 0.0 110.028 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -74.47 -77.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.243 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.51 -22.09 2.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.827 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -79.34 50.06 1.05 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.095 0.474 . . . . 0.0 111.729 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.493 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -75.98 -37.13 39.19 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.676 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.48 159.18 27.95 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.513 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.5 pt -99.4 127.2 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.082 0.468 . . . . 0.0 110.372 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.462 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 86.0 m-85 -114.27 160.78 18.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.052 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.4 mm -81.78 117.15 27.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.569 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.57 -95.73 0.22 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.309 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.7 m -117.03 144.3 44.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.801 0.334 . . . . 0.0 110.759 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 74.7 mt -97.82 129.1 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.455 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 36.9 mmt -91.69 133.48 35.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.27 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -63.3 131.16 47.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.79 -9.99 57.13 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.692 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.79 161.87 42.53 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.226 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.512 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -59.39 -32.49 70.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.64 0.257 . . . . 0.0 111.661 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.2 t -74.55 -36.38 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.559 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.92 -21.82 65.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.286 0.565 . . . . 0.0 110.5 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.11 -10.06 53.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.775 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -93.06 -71.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.61 -20.44 32.04 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.542 -0.837 . . . . 0.0 114.243 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -71.12 -32.53 69.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 117.621 0.711 . . . . 0.0 111.323 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.7 mt -85.8 138.05 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -138.88 162.26 53.62 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.586 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.73 114.66 2.05 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.384 2.056 . . . . 0.0 111.588 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.46 -14.83 8.68 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.382 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -69.49 143.31 53.53 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.462 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.1 ttt -99.85 136.38 39.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.55 0.214 . . . . 0.0 111.282 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.4 mt -87.25 120.78 28.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.745 HD11 ' HB2' ' A' ' 89' ' ' ALA . 57.2 mt -102.25 -52.26 3.18 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.227 0.537 . . . . 0.0 111.001 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.8 139.35 45.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.555 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.5 t -133.62 101.2 3.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 61.64 67.83 0.74 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.934 0.397 . . . . 0.0 111.613 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 72.57 -46.01 0.64 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.2 m -68.79 135.71 27.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.346 0.594 . . . . 0.0 111.628 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -96.78 129.12 44.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.462 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -100.42 -5.68 26.78 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -59.79 -37.74 79.94 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.842 0.354 . . . . 0.0 110.95 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -102.57 37.62 1.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 76.6 mtp -139.8 149.7 43.83 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.97 154.27 31.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.403 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -55.56 -46.27 77.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.668 0.27 . . . . 0.0 111.162 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -64.54 -45.33 87.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.242 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 22.4 m-20 -62.43 -40.14 95.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.78 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.43 90.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.076 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.615 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 77.9 t -66.23 -43.58 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.801 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 69' ' ' ASP . 91.1 mtt180 -51.4 -54.62 24.8 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.224 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.56 -37.21 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.04 -44.62 94.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.806 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 13.0 mtp180 -58.0 -39.88 79.37 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.666 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -63.45 -40.34 96.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.994 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.1 mt -73.23 -45.9 51.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.134 0.493 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.0 t -61.37 -28.98 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.531 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.3 m -91.82 -0.73 57.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.327 . . . . 0.0 111.286 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.75 156.27 17.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.429 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.3 m -84.78 136.98 33.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.991 0.424 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.26 158.86 8.24 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.451 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.74 138.91 72.01 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.77 2.313 . . . . 0.0 111.443 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.4 mt -117.03 126.01 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.962 0.411 . . . . 0.0 111.22 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.0 m -108.61 127.02 53.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.76 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.8 mt -111.59 121.37 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.946 0.403 . . . . 0.0 111.459 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.8 m -96.06 100.43 12.09 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 26.0 m -102.84 145.85 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.423 0.63 . . . . 0.0 112.157 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.745 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -105.95 105.97 16.26 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.729 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.522 -0.751 . . . . 0.0 110.365 -179.594 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.597 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 mt -94.2 133.45 35.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.435 HD12 ' HD3' ' A' ' 90' ' ' LYS . 58.7 mt -127.32 128.38 70.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.72 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.7 m -107.0 115.61 30.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.2 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.7 m -112.58 153.48 14.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.973 0.416 . . . . 0.0 110.998 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -112.88 136.51 52.45 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.497 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 83.7 mt -113.53 141.12 47.53 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.03 0.443 . . . . 0.0 110.876 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -91.9 113.04 25.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.292 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.3 mmm -92.36 9.67 33.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.203 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -86.48 -51.62 6.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.371 0.605 . . . . 0.0 109.684 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -86.28 -21.98 27.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.691 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -110.88 155.45 22.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.734 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -116.36 -28.52 6.48 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.038 0.447 . . . . 0.0 110.495 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -130.71 153.06 49.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.57 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.401 HD21 HD12 ' A' ' 84' ' ' ILE . 29.7 mt -78.07 -36.68 47.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.379 -178.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.434 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 76.87 49.87 7.4 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.52 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -149.24 104.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.437 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 29.6 p -76.7 114.11 15.09 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.527 0.679 . . . . 0.0 111.001 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mm -73.25 133.41 31.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.402 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.2 t -125.74 110.14 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.92 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 31' ' ' ILE . . . -78.99 125.78 7.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.279 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.5 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.1 tt0 -81.16 113.77 19.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.746 0.308 . . . . 0.0 110.226 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -97.61 151.45 20.07 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -152.04 -175.63 5.32 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.56 -32.54 67.22 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.099 0.475 . . . . 0.0 110.27 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -88.1 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.33 -21.41 4.08 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.043 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -82.81 54.23 2.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.421 0.629 . . . . 0.0 111.547 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.5 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -78.45 -37.72 26.79 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.59 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.73 156.26 28.39 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.326 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.4 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . 5.5 pt -92.02 129.57 42.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.241 0.543 . . . . 0.0 111.16 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -116.85 166.01 12.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.086 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.7 mm -87.4 117.18 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.484 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.31 -77.62 1.1 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.902 -0.665 . . . . 0.0 113.08 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m -126.05 149.91 48.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.705 0.288 . . . . 0.0 111.454 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.0 mt -105.12 130.78 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.943 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.2 mmt -96.24 130.4 43.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.604 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -69.31 125.41 26.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.923 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.52 -5.85 31.48 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.44 167.78 39.48 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.904 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.497 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -61.71 -38.19 86.98 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.8 t -69.74 -35.02 63.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.014 0.435 . . . . 0.0 111.004 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.69 -15.29 61.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.452 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.22 -0.23 55.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.794 0.331 . . . . 0.0 111.403 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -102.15 -70.6 0.75 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.146 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.4 -26.05 15.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.844 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -65.23 -38.4 90.26 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 117.157 0.478 . . . . 0.0 111.754 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.4 mt -85.69 139.5 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.603 0.239 . . . . 0.0 110.373 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -147.02 162.25 33.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.138 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.31 116.49 3.1 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.5 2.133 . . . . 0.0 111.929 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 126.46 -18.31 6.44 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.263 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.475 ' CG ' ' HZ2' ' A' ' 90' ' ' LYS . 85.3 m-20 -71.69 146.54 48.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.7 ttt -104.83 136.26 44.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.426 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 mt -87.52 126.04 34.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.706 0.289 . . . . 0.0 110.482 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.698 HD11 ' HB2' ' A' ' 89' ' ' ALA . 29.6 mt -107.74 -54.63 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -128.72 139.94 51.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.05 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.2 t -133.87 109.29 12.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.816 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.493 ' OD1' ' HA ' ' A' ' 84' ' ' ILE . 3.2 m120 50.82 60.83 3.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.08 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 74.36 -18.68 0.4 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.914 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.7 t -84.69 123.49 39.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.904 0.383 . . . . 0.0 111.233 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -91.77 122.57 34.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.396 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -101.77 -1.96 31.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.789 0.328 . . . . 0.0 111.403 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -62.66 -22.59 66.57 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -119.04 28.06 8.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.93 0.395 . . . . 0.0 110.922 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.3 mtp -124.07 160.24 28.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.434 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.27 153.62 42.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.504 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -54.59 -48.33 72.27 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.02 -49.81 75.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.832 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -60.16 -39.43 86.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.387 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.32 -49.73 75.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.531 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.17 -35.35 73.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.69 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -60.06 -52.41 65.47 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.841 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.74 -38.05 81.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.14 0.495 . . . . 0.0 110.082 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.4 -40.33 86.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.255 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -57.0 -42.06 79.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.037 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 29.9 mm-40 -64.71 -37.08 86.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.352 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -76.11 -43.03 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.14 0.495 . . . . 0.0 110.536 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.39 -34.5 64.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.442 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 m -96.65 21.51 9.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.917 0.389 . . . . 0.0 110.765 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 2.8 tp-100 -115.69 168.91 9.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.309 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.59 151.36 20.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.298 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.55 159.51 12.14 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.826 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.58 125.7 13.7 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.822 2.348 . . . . 0.0 112.144 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.493 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 78.8 mt -92.92 131.26 40.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.138 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.7 m -114.03 124.36 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.97 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.5 mt -114.66 126.33 54.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.127 0.489 . . . . 0.0 111.766 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -105.31 102.5 11.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.33 154.22 7.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.263 0.554 . . . . 0.0 112.341 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.698 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -109.76 121.4 45.14 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.34 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.475 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 26.7 mtpp . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.357 -0.83 . . . . 0.0 109.826 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.688 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.7 t30 . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.811 0.338 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.4 mt -90.44 126.23 43.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.365 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.3 mt -125.53 130.02 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.02 0.438 . . . . 0.0 110.78 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.25 116.67 33.13 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.904 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 m -116.02 150.84 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.918 0.389 . . . . 0.0 111.033 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -114.09 131.06 56.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.465 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 58.6 mt -112.27 133.74 54.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.984 0.421 . . . . 0.0 111.516 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -88.03 109.42 19.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.361 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.0 mmm -93.32 18.62 9.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.508 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -91.19 -43.4 9.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -94.08 -17.32 22.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.328 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -115.12 141.42 48.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.008 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -108.04 -15.5 14.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.865 0.364 . . . . 0.0 111.374 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -138.93 157.5 45.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.999 0.428 . . . . 0.0 110.211 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.407 HD21 HD12 ' A' ' 84' ' ' ILE . 74.8 mt -87.42 -32.26 19.62 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.242 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.418 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 68.97 54.34 14.68 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.309 -179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.444 ' H ' ' H11' ' A' ' 91' ' ' SUZ . 1.1 pt -153.65 102.68 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.684 0.242 . . . . 0.0 110.795 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.471 ' CA ' ' H9B' ' A' ' 91' ' ' SUZ . 90.5 p -74.53 127.97 34.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.42 0.628 . . . . 0.0 110.36 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.7 mm -81.67 128.58 38.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.996 -178.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -116.7 116.03 50.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.329 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.36 132.51 11.31 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.789 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -89.95 99.1 12.18 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.6 m -108.95 103.72 12.81 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.563 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -100.45 -139.57 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.518 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -76.24 -44.44 37.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.0 0.429 . . . . 0.0 110.752 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -73.2 -57.05 4.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.89 -25.27 7.61 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.729 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.63 54.87 3.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.218 0.532 . . . . 0.0 110.784 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.74 -43.48 6.81 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.158 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.52 167.21 21.86 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.085 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.9 pt -107.31 138.78 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.003 0.43 . . . . 0.0 111.038 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -123.09 158.01 31.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.352 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.6 mm -72.55 115.73 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 50' ' ' PRO . . . -79.46 -85.04 0.59 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.959 -0.638 . . . . 0.0 113.08 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -120.39 137.3 54.38 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 122.604 -0.351 . . . . 0.0 111.126 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.1 mt -95.87 134.24 34.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.562 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.8 mmt -102.54 127.03 49.78 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -62.25 117.82 6.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.19 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.62 -16.03 8.47 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.453 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.19 163.45 50.57 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.9 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -59.93 -34.65 73.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.748 0.308 . . . . 0.0 111.479 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.19 -34.75 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.949 0.404 . . . . 0.0 110.531 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.26 -6.74 47.93 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.63 -25.21 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -77.76 -73.07 0.33 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.977 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.07 -3.96 27.06 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.506 -0.854 . . . . 0.0 114.108 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -93.36 -28.8 15.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 117.626 0.713 . . . . 0.0 111.906 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.4 mt -88.18 137.38 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -140.64 161.98 51.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.309 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.46 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 40.4 Cg_exo -57.46 106.91 0.26 Allowed 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.467 2.111 . . . . 0.0 112.062 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.02 -19.87 3.65 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.592 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -67.39 138.06 56.42 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.419 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 28.3 ttt -91.08 137.23 32.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.643 0.259 . . . . 0.0 111.237 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 54' ' ' LEU . 8.5 mt -90.06 115.15 27.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.929 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.76 HD11 ' HB2' ' A' ' 89' ' ' ALA . 15.5 mt -97.52 -78.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.169 0.509 . . . . 0.0 110.628 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -110.19 134.49 52.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.809 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.2 t -129.01 98.69 4.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.843 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 6.9 m120 62.6 71.13 0.53 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.48 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 58.3 m-20 74.12 -52.35 0.69 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.221 -0.9 . . . . 0.0 113.14 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.1 m -68.61 130.29 33.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.31 0.576 . . . . 0.0 111.327 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -105.75 132.02 52.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.441 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -99.87 6.31 45.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.762 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -54.86 -35.76 64.36 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 111.609 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -119.2 56.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.3 0.572 . . . . 0.0 110.483 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 39.2 mtp -146.58 166.06 27.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.958 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 77.6 p -73.83 156.85 37.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.692 0.282 . . . . 0.0 110.332 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -62.16 -30.58 71.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.195 0.521 . . . . 0.0 110.09 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -50.3 17.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.846 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -61.43 -34.57 75.62 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.488 0.185 . . . . 0.0 111.076 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.26 -46.74 82.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.195 0.521 . . . . 0.0 110.41 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.6 t -70.94 -36.27 63.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.272 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -57.23 -49.75 75.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.547 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.39 -38.49 81.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.866 0.365 . . . . 0.0 110.111 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.56 -41.8 95.31 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.326 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -57.72 -40.47 79.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.064 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -65.34 -45.85 82.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.5 mt -67.26 -40.72 85.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.18 -32.05 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.289 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 m -86.24 0.67 53.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.501 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.68 178.08 4.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.917 0.389 . . . . 0.0 110.979 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.4 p -108.02 135.58 49.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.5 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.86 -178.88 27.06 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.754 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -81.48 128.03 6.0 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.806 2.337 . . . . 0.0 111.568 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.407 HD12 HD21 ' A' ' 15' ' ' LEU . 25.0 mt -99.29 120.49 48.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.018 0.437 . . . . 0.0 110.683 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -111.73 117.21 32.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.757 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.9 mt -108.01 129.02 55.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.964 0.412 . . . . 0.0 111.963 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.7 95.33 5.58 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.5 m -99.34 148.47 6.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.512 0.672 . . . . 0.0 112.278 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.76 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -109.86 112.46 24.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.004 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.823 -179.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.592 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 . . . . . 0 N--CA 1.483 1.218 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.0 mt -100.03 118.97 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.584 0.231 . . . . 0.0 110.707 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.8 mt -111.51 132.76 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.009 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m -100.68 111.85 24.16 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 48' ' ' ILE . 7.1 m -115.73 146.78 19.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.062 0.458 . . . . 0.0 111.683 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.1 t -119.65 134.9 55.04 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.532 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 24.0 mt -118.31 156.74 28.35 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.053 0.454 . . . . 0.0 111.797 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 27.4 t-20 -93.14 120.12 33.1 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.474 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mmm -101.01 10.53 40.98 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.304 0.378 . . . . 0.0 111.56 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -83.04 -57.75 3.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -80.04 -32.4 39.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.18 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.455 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 32.2 m80 -92.95 142.06 27.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.216 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -106.92 -12.4 15.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.599 0.238 . . . . 0.0 111.196 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -149.09 159.61 44.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.385 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.0 mt -80.56 -39.23 28.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.026 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.424 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 77.93 48.14 7.98 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.84 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pt -150.57 103.05 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.681 0.24 . . . . 0.0 110.355 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.466 ' CA ' ' H9B' ' A' ' 91' ' ' SUZ . 88.6 p -71.11 123.38 22.0 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.42 -179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.1 mm -82.34 127.68 39.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.435 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.8 t -116.85 118.61 59.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.732 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.22 121.33 5.59 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.213 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.411 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 6.6 tt0 -83.19 127.13 33.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.849 0.356 . . . . 0.0 110.586 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.8 m -138.4 163.14 32.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -156.22 -92.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.454 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -122.47 -36.53 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.042 0.448 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 -78.97 -56.57 4.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.71 -37.72 2.35 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.282 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -79.34 75.85 5.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.636 0.731 . . . . 0.0 111.395 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -98.29 -42.12 3.06 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.201 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.63 163.16 23.36 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.045 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.6 pt -99.76 127.93 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.946 0.403 . . . . 0.0 110.7 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 59.3 m-85 -117.24 160.23 21.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.99 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.9 mm -80.08 120.79 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.142 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.77 -81.14 0.89 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.54 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.2 m -130.18 142.99 50.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.784 0.326 . . . . 0.0 111.013 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.1 mt -94.38 131.02 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.893 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.5 mmt -97.6 125.19 42.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.427 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -64.86 120.84 13.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.112 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.96 -11.02 13.5 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.35 168.69 46.65 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.27 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -62.17 -34.92 77.33 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.68 -31.96 39.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.055 0.455 . . . . 0.0 110.796 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.94 -8.82 40.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.2 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.88 -3.71 29.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.833 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -95.85 -70.29 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.862 0.363 . . . . 0.0 110.121 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.26 -23.76 27.92 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.251 -0.976 . . . . 0.0 113.987 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -74.03 -32.56 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.707 0.754 . . . . 0.0 111.315 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.406 HD11 HG21 ' A' ' 5' ' ' VAL . 54.4 mt -82.31 131.16 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -133.27 161.01 66.36 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.347 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.35 126.33 20.49 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.06 1.84 . . . . 0.0 110.788 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.23 -16.57 22.31 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.956 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -66.83 144.08 56.5 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.467 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.3 ttt -99.6 133.4 43.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.635 0.255 . . . . 0.0 111.046 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.0 mt -89.74 124.7 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.587 HD11 ' HB2' ' A' ' 89' ' ' ALA . 44.9 mt -102.81 -67.75 0.86 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.005 0.431 . . . . 0.0 111.063 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -123.55 138.3 54.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.87 102.67 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.204 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 8.6 m120 63.42 66.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.74 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 39.9 m-20 74.91 -44.36 0.54 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.07 125.99 32.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.475 0.655 . . . . 0.0 111.342 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -96.34 136.51 36.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.449 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -111.38 3.52 18.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -58.57 -33.21 69.69 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.799 0.333 . . . . 0.0 111.16 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -115.8 43.22 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.033 0.444 . . . . 0.0 110.786 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 61.2 mtp -137.36 162.33 33.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.272 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.35 150.27 47.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.31 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -58.42 -47.07 85.14 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.842 0.353 . . . . 0.0 110.739 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.23 -49.8 74.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.487 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -59.15 -40.25 84.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.072 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.31 -48.19 81.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.352 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.491 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 79.7 t -64.52 -37.76 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.206 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -59.04 -48.41 81.71 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.017 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 69' ' ' ASP . 39.0 t -64.05 -42.15 94.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.188 0.518 . . . . 0.0 109.872 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.2 tp -58.44 -40.55 82.87 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.301 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 32.7 mtp85 -57.82 -41.79 82.98 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.001 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -65.32 -42.84 92.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.6 mt -69.28 -43.73 81.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.18 -35.02 72.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.54 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.4 m -83.44 3.75 30.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.928 0.394 . . . . 0.0 111.01 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -109.07 156.28 19.97 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.9 m -95.19 123.13 38.52 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.869 0.366 . . . . 0.0 110.68 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.61 178.48 41.35 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -78.01 93.42 1.09 Allowed 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.492 2.128 . . . . 0.0 111.692 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 55.2 mt -71.92 119.96 19.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.565 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -122.36 125.87 46.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.24 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.58 151.66 46.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.91 0.386 . . . . 0.0 111.375 -178.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.7 p -114.56 113.49 24.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.426 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.4 m -101.03 129.59 51.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.166 0.508 . . . . 0.0 111.669 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.587 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -96.64 104.86 16.88 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.297 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.16 -0.924 . . . . 0.0 109.6 -179.529 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.682 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 42.9 t30 . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.897 0.38 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.8 mt -89.28 121.6 39.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.073 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.9 mt -118.77 132.74 67.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.088 0.47 . . . . 0.0 111.013 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -103.94 111.82 24.53 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 m -107.94 144.64 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.014 0.435 . . . . 0.0 111.471 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -104.35 136.46 43.9 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -121.42 133.78 55.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.954 0.407 . . . . 0.0 111.134 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -91.19 116.31 28.71 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.685 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.9 mmm -96.06 10.03 38.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.173 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -80.95 -37.37 29.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.24 0.543 . . . . 0.0 109.889 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -110.37 14.01 22.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.149 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -138.91 135.06 34.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.434 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -96.52 -28.29 14.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -137.51 164.8 27.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.902 0.382 . . . . 0.0 111.152 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -88.18 -35.63 17.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.434 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 75.8 51.58 7.0 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.784 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.418 HG22 HG12 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -154.38 104.22 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 116.738 0.269 . . . . 0.0 110.351 -179.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.508 ' CA ' ' H9B' ' A' ' 91' ' ' SUZ . 84.1 p -71.64 132.84 45.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.282 0.563 . . . . 0.0 110.76 -179.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 mm -88.18 122.97 40.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.265 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.6 t -116.67 109.22 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.818 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 31' ' ' ILE . . . -81.93 134.01 12.63 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.364 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -83.52 107.93 16.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.27 0.557 . . . . 0.0 110.255 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.16 137.42 40.46 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.844 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -151.28 -169.76 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -36.26 77.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.966 0.413 . . . . 0.0 110.616 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -76.45 -65.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.327 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.32 -33.31 3.68 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.276 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -82.54 54.05 2.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.295 0.569 . . . . 0.0 111.449 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.39 -39.54 25.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.852 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.31 161.43 29.3 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.053 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.449 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . 9.7 pt -98.24 132.14 43.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.143 0.496 . . . . 0.0 111.326 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -118.83 156.46 29.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.731 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.2 mm -75.61 119.34 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.165 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.71 -86.0 1.01 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.205 -0.521 . . . . 0.0 113.189 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -116.49 136.83 52.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.739 0.304 . . . . 0.0 111.449 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.418 HG12 HG22 ' A' ' 17' ' ' ILE . 66.2 mt -94.68 139.22 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.858 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.5 mmt -113.15 124.97 53.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.674 0.273 . . . . 0.0 110.569 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -60.79 130.68 47.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.022 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.49 -15.55 24.64 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.825 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.03 165.05 43.08 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.655 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.63 76.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.747 0.308 . . . . 0.0 111.657 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.6 t -71.82 -37.25 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 110.546 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.78 -17.1 63.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.26 0.552 . . . . 0.0 110.315 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.45 -2.9 55.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.154 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -100.96 -72.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.856 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.44 -21.36 21.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.478 -0.868 . . . . 0.0 114.715 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -71.02 -25.87 62.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.604 0.702 . . . . 0.0 111.584 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mt -93.95 134.22 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -133.02 162.44 57.64 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.93 102.61 0.21 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.675 2.25 . . . . 0.0 111.75 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.16 -21.13 2.98 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.78 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HB3' ' HB ' ' A' ' 88' ' ' VAL . 91.3 m-20 -62.65 140.32 58.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.828 0.347 . . . . 0.0 110.224 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.3 ttt -98.13 133.34 42.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.668 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.4 mt -86.52 122.54 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.281 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' A' ' 89' ' ' ALA . 84.2 mt -102.35 -71.58 0.72 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.97 0.414 . . . . 0.0 110.779 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.74 136.97 53.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.54 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.8 t -130.54 103.31 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.336 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 5.6 m-20 58.87 68.44 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.317 0.386 . . . . 0.0 111.882 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 20.7 m-20 76.33 -52.57 0.6 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.614 0.766 . . . . 0.0 112.856 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.0 m -67.84 130.11 32.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.499 0.666 . . . . 0.0 111.678 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -100.68 133.71 44.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.54 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -105.16 5.81 32.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.814 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -58.63 -36.75 74.58 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -111.93 33.22 4.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.592 0.234 . . . . 0.0 111.452 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 79.9 mtp -122.42 158.28 30.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.852 0.358 . . . . 0.0 110.814 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.08 151.38 46.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.614 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -52.37 -42.98 64.42 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 4.1 m-20 -68.6 -49.02 62.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.026 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -58.54 -42.08 87.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.379 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.24 -43.46 78.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.099 0.476 . . . . 0.0 110.604 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.1 t -71.01 -39.67 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.478 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 80.8 mtt180 -58.86 -49.61 77.09 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.314 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 49.7 t -64.08 -40.88 90.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.169 0.509 . . . . 0.0 110.024 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.09 -41.35 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.155 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -57.64 -37.41 73.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.085 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -66.65 -45.44 78.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.871 0.367 . . . . 0.0 110.555 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.4 mt -67.83 -40.53 83.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.212 0.53 . . . . 0.0 110.78 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.07 -33.36 63.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -87.4 9.61 20.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.394 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -101.72 167.33 10.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.35 74.88 0.92 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.927 0.394 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -158.94 169.53 35.23 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.716 -0.553 . . . . 0.0 111.716 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.66 139.47 69.71 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.576 2.184 . . . . 0.0 111.987 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.2 mt -120.69 116.55 50.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.037 0.446 . . . . 0.0 111.005 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.8 m -102.39 122.93 45.25 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.4 mt -107.43 125.54 51.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.911 0.386 . . . . 0.0 111.548 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.1 97.54 7.62 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 52' ' ' ASP . 34.4 m -99.79 144.98 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.348 0.594 . . . . 0.0 112.324 -177.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.42 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -103.66 111.48 23.98 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.48 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.51 -179.524 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.596 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 84.9 mt -94.78 114.37 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.723 0.297 . . . . 0.0 110.359 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.7 mt -115.21 132.32 64.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.807 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -108.18 112.68 25.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.909 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.1 m -104.27 135.43 42.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.208 0.528 . . . . 0.0 111.721 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -105.77 120.42 41.66 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.2 mt -102.94 152.44 21.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.417 0.627 . . . . 0.0 112.491 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -100.92 110.22 22.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.81 -1.087 . . . . 0.0 109.552 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 98.9 mmm -94.04 11.16 30.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.452 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -77.2 -56.21 4.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.367 0.604 . . . . 0.0 109.537 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -82.06 -36.49 27.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.637 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -86.25 156.88 20.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -116.82 -31.37 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.332 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -132.55 162.49 31.13 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.029 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.23 -36.01 21.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.974 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.472 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 74.45 51.45 8.39 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.366 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 pt -152.19 105.94 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 116.678 0.239 . . . . 0.0 110.701 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.447 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 60.1 p -74.18 129.63 38.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.318 0.58 . . . . 0.0 110.706 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.462 ' H ' ' H19' ' A' ' 91' ' ' SUZ . 9.8 mm -85.58 125.45 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.172 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.9 t -107.65 125.87 64.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.055 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.94 114.29 4.87 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.59 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.471 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 8.1 tt0 -87.04 127.71 35.1 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.522 ' OG ' ' HA2' ' A' ' 27' ' ' GLY . 35.4 t -157.32 131.25 8.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.693 0.282 . . . . 0.0 110.303 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -123.65 -92.87 0.52 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.368 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -101.48 -43.97 5.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.817 0.341 . . . . 0.0 110.516 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.458 ' HB3' ' OD2' ' A' ' 28' ' ' ASP . 16.9 mmt85 -73.88 -56.44 4.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.466 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.522 ' HA2' ' OG ' ' A' ' 23' ' ' SER . . . 113.83 -23.19 13.44 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.272 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.458 ' OD2' ' HB3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -82.02 48.23 1.21 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.913 0.387 . . . . 0.0 111.72 -179.474 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -72.38 -46.49 33.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.387 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.55 171.94 19.2 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.371 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.7 pt -105.66 127.7 60.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.015 0.436 . . . . 0.0 110.6 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 49.3 m-85 -123.01 160.39 26.38 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.862 -178.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.7 mm -80.66 118.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 50' ' ' PRO . . . -87.44 -73.64 1.28 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.872 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 p -124.37 136.99 54.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.03 0.443 . . . . 0.0 111.477 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 mt -97.87 140.93 16.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.72 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.1 mmt -111.32 126.24 54.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.536 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -63.76 132.29 50.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.902 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.75 -14.49 38.19 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.88 162.61 46.92 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.786 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.05 -33.41 68.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.791 0.329 . . . . 0.0 111.71 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.1 t -75.96 -34.65 27.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.31 -17.18 63.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.3 -4.27 58.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.425 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -101.15 -74.01 0.63 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.938 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.69 -23.54 17.21 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.523 -0.846 . . . . 0.0 114.158 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -64.09 -34.82 78.92 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.751 0.776 . . . . 0.0 111.578 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.0 mt -86.66 138.33 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.31 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -136.96 162.0 58.29 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.257 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.471 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 36.4 Cg_exo -61.2 105.0 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.296 1.997 . . . . 0.0 111.699 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.99 -17.47 3.62 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 93.5 m-20 -68.45 141.2 55.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.702 0.287 . . . . 0.0 110.295 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.481 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.2 ttt -99.04 133.72 42.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.789 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.2 mt -87.35 125.85 34.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.901 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.627 HD11 ' HB2' ' A' ' 89' ' ' ALA . 55.3 mt -102.97 -64.02 1.11 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.964 0.411 . . . . 0.0 110.948 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -124.03 139.58 53.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.481 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.481 HG13 HD23 ' A' ' 86' ' ' LEU . 59.3 t -133.46 100.71 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 m120 57.98 75.58 0.37 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.896 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 72.63 -51.76 0.7 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.9 m -71.73 129.35 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.36 0.6 . . . . 0.0 112.32 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -98.44 134.7 41.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.764 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -107.39 1.6 23.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -58.24 -42.22 85.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 111.538 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -103.96 33.85 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.039 0.447 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.8 mtp -125.28 165.18 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.333 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.8 p -76.57 158.31 31.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.202 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -62.73 -35.42 79.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.153 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 1.1 m-20 -70.14 -53.28 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -62.83 -33.18 74.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.149 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.52 -49.02 78.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.995 0.426 . . . . 0.0 110.368 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.458 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 94.8 t -70.32 -34.28 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.355 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 73.5 mtt180 -56.91 -51.88 67.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.66 -39.01 82.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.34 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.77 -41.73 87.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.457 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 31.6 mtp85 -58.99 -38.31 78.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -66.61 -43.19 85.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 110.587 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.2 mt -67.12 -41.11 86.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.104 0.478 . . . . 0.0 110.23 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.6 t -65.26 -31.74 55.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.988 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.6 m -89.46 12.3 16.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -111.15 156.86 20.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.695 0.283 . . . . 0.0 110.312 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.12 93.19 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.945 0.402 . . . . 0.0 111.012 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.89 172.94 45.41 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.024 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.34 116.22 4.52 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.663 2.242 . . . . 0.0 112.524 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.2 mt -92.78 130.1 42.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.686 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 m -120.87 116.92 26.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.037 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.481 HD23 HG13 ' A' ' 57' ' ' VAL . 16.4 mt -106.9 126.28 52.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.497 -178.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.9 m -103.51 110.56 22.65 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.2 m -109.56 157.44 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.627 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -121.35 116.98 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.942 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 20.1 mtpp . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.061 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.572 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 61.9 t30 . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.57 0.224 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.4 mt -92.67 118.8 39.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.14 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.401 HG22 HG13 ' A' ' 5' ' ' VAL . 38.0 mt -115.73 126.61 73.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 m -103.96 117.01 33.29 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.948 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.401 HG13 HG22 ' A' ' 3' ' ' ILE . 35.1 m -121.57 139.0 50.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.03 0.443 . . . . 0.0 111.59 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.7 147.42 28.56 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.524 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 14.1 mt -121.22 157.38 30.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.984 0.421 . . . . 0.0 111.436 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -99.52 106.2 18.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.912 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.7 mmm -89.86 18.78 5.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.406 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -95.43 -42.97 8.21 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -93.14 -14.52 27.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.304 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -120.2 153.75 35.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.293 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -111.17 -26.35 9.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.585 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -134.46 160.95 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.696 0.284 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.0 mt -83.38 -37.29 23.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.802 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.444 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 76.05 49.24 8.79 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.512 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pt -149.83 105.36 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.873 0.337 . . . . 0.0 110.715 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.485 ' CA ' ' H9B' ' A' ' 91' ' ' SUZ . 82.3 p -72.21 133.88 45.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.294 0.568 . . . . 0.0 110.906 -178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mm -90.7 119.4 37.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.196 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -112.03 113.35 43.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.204 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.4 131.63 10.54 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.963 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -86.77 114.06 23.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.902 0.382 . . . . 0.0 110.38 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.6 164.5 12.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.398 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -174.86 -170.05 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -59.8 -44.16 94.09 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -77.47 -70.09 0.49 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.829 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.16 -11.82 7.24 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.683 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -83.25 39.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.173 0.511 . . . . 0.0 111.059 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.07 -37.45 82.52 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.826 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.2 168.81 33.16 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.221 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 pt -104.76 135.36 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.146 0.498 . . . . 0.0 111.275 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 79.3 m-85 -123.66 158.87 30.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.849 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.8 mm -76.15 112.22 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.75 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.19 -75.19 0.75 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.416 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.4 m -133.69 146.36 50.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.712 0.291 . . . . 0.0 110.924 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -102.07 139.25 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.951 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.6 mmt -109.2 129.95 55.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.321 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -67.97 130.8 44.08 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.05 -13.52 24.04 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.86 167.01 43.56 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.841 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.524 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -62.9 -33.1 74.6 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.5 t -67.72 -30.23 47.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 111.026 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.61 -9.92 58.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.47 -15.93 34.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.976 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -96.83 -76.19 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.33 -21.18 20.1 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.437 -0.887 . . . . 0.0 114.06 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -67.39 -24.61 65.7 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 117.682 0.741 . . . . 0.0 111.488 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.6 mt -88.84 135.15 26.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.4 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -133.51 160.34 69.01 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.153 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -62.19 110.56 1.05 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.321 2.014 . . . . 0.0 110.645 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 130.82 -15.14 5.45 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.834 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -68.62 143.2 54.9 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.402 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 49.9 ttp -97.19 133.58 41.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.653 0.263 . . . . 0.0 110.586 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.6 mt -86.11 117.55 25.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.035 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' A' ' 89' ' ' ALA . 48.7 mt -94.75 -69.3 0.76 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.148 0.499 . . . . 0.0 110.913 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.418 ' H ' ' HB ' ' A' ' 87' ' ' THR . 7.8 tt0 -121.84 137.26 54.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.11 -178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.9 t -127.81 104.09 11.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.885 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 12.0 m120 51.86 74.52 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.298 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 66.2 m-20 75.45 -43.87 0.51 Allowed 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 178.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.427 HG11 HG11 ' A' ' 73' ' ' VAL . 2.7 t -75.52 121.81 28.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.126 0.489 . . . . 0.0 111.599 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -97.58 130.59 44.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.744 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -103.53 4.77 36.22 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -57.84 -31.65 66.86 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -118.08 34.85 4.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.754 0.311 . . . . 0.0 111.018 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 79.3 mtp -125.94 161.17 28.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.433 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 81.1 p -75.41 159.56 31.25 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.94 -36.31 79.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.068 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.26 -49.56 63.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.871 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -65.6 -38.88 90.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.664 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.53 -50.47 69.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.514 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.586 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 60.0 t -67.06 -37.68 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.898 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -55.66 -52.01 65.3 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.644 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.427 HG11 HG11 ' A' ' 60' ' ' VAL . 19.9 t -66.07 -40.74 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.434 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.16 -39.59 82.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.627 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 26.2 mtp180 -59.51 -38.86 82.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.015 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.29 -43.7 73.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.444 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.4 mt -65.93 -43.46 92.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.757 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.3 t -63.42 -35.36 72.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.0 m -87.62 9.93 19.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.928 0.395 . . . . 0.0 110.809 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -104.82 142.54 34.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.417 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.2 120.47 25.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.584 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.26 177.77 31.67 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.245 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -78.11 108.13 2.45 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.737 2.291 . . . . 0.0 112.524 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.7 mt -86.31 131.6 34.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.032 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 m -122.11 126.02 47.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.986 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.2 mt -111.5 135.55 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.003 0.43 . . . . 0.0 111.327 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.418 ' HB ' ' H ' ' A' ' 56' ' ' GLN . 1.8 m -109.38 103.8 12.78 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.4 m -103.81 146.26 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.203 0.525 . . . . 0.0 112.291 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.418 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -107.37 114.14 27.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.581 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.224 -0.894 . . . . 0.0 110.089 -179.57 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.579 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 54.1 mt -104.43 128.18 58.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.761 0.315 . . . . 0.0 111.149 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 mt -121.81 126.26 74.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 m -102.02 108.51 19.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 m -112.56 157.4 13.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.917 0.389 . . . . 0.0 111.647 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 t -117.07 140.84 49.0 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.473 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 24.5 mt -115.11 136.16 53.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.99 0.424 . . . . 0.0 111.765 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -86.94 112.18 21.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.472 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.8 mmm -98.5 11.29 38.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.915 0.388 . . . . 0.0 110.996 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.04 -47.65 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.052 0.453 . . . . 0.0 109.813 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -90.72 -15.95 29.35 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -104.5 166.77 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.263 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -124.03 -15.19 6.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.767 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -151.23 166.96 29.29 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.129 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.0 mt -86.29 -38.45 17.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.767 0.318 . . . . 0.0 110.828 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 74.38 52.65 7.35 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.991 -0.624 . . . . 0.0 112.077 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.424 HG21 HG11 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -154.35 106.99 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 116.867 0.334 . . . . 0.0 110.826 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.419 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 85.0 p -72.72 130.04 39.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.103 0.478 . . . . 0.0 110.457 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.532 ' H ' ' H19' ' A' ' 91' ' ' SUZ . 10.3 mm -90.35 124.21 42.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.9 t -111.25 126.56 68.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.354 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.67 120.3 6.62 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.389 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -74.96 105.56 6.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.017 0.437 . . . . 0.0 110.397 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -93.83 148.39 22.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.355 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -163.63 -160.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.45 -48.6 69.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.55 0.214 . . . . 0.0 111.176 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -71.49 -59.9 2.52 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.4 -21.81 9.11 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.422 -0.894 . . . . 0.0 113.316 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -87.64 51.79 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.858 0.837 . . . . 0.0 110.68 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.95 -23.13 69.93 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.998 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.03 166.19 42.1 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.833 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.4 pt -101.94 135.5 38.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.167 0.508 . . . . 0.0 111.116 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -124.01 161.36 25.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.622 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.2 mm -81.53 116.92 26.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.822 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.48 -73.65 0.96 Allowed Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.551 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.9 m -140.67 150.69 43.82 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 122.768 -0.254 . . . . 0.0 110.812 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 49' ' ' GLU . 30.5 mt -98.1 141.79 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.512 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.6 mmt -109.99 119.72 40.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.128 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -56.17 127.28 29.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.255 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.3 -19.29 20.09 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.996 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.93 168.95 54.42 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.799 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -61.55 -35.55 78.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.634 0.254 . . . . 0.0 111.363 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.424 HG11 HG21 ' A' ' 17' ' ' ILE . 74.6 t -74.19 -34.48 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.403 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.88 -28.02 69.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.169 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.88 -21.76 40.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.661 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -77.41 -73.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.609 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.56 -19.45 47.74 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.675 -0.774 . . . . 0.0 114.141 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -73.25 -28.1 61.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.767 0.784 . . . . 0.0 110.32 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.0 mt -91.59 139.24 18.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.538 ' HA ' HD11 ' A' ' 36' ' ' ILE . 10.0 pt-20 -146.58 162.2 35.01 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.815 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.96 117.8 4.27 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.64 2.226 . . . . 0.0 111.846 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.54 -18.15 8.23 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.623 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -68.95 145.3 53.74 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.414 ' O ' ' HA ' ' A' ' 88' ' ' VAL . 27.3 ttt -100.22 137.78 38.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.817 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.2 mt -94.01 122.51 36.58 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 89' ' ' ALA . 51.7 mt -104.05 -74.79 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.014 0.435 . . . . 0.0 110.94 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -110.65 135.73 50.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.444 ' O ' HG22 ' A' ' 60' ' ' VAL . 77.6 t -129.37 97.5 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.01 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.484 ' OD1' ' HA ' ' A' ' 84' ' ' ILE . 5.0 m120 60.17 72.6 0.52 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.768 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 1.4 m-20 72.9 -45.63 0.63 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 57' ' ' VAL . 17.2 m -75.28 135.04 28.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.444 0.64 . . . . 0.0 111.461 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -103.14 138.08 40.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.861 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -111.1 4.36 19.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.746 0.308 . . . . 0.0 111.592 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -58.4 -34.11 70.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.266 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -117.21 36.66 4.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.028 0.442 . . . . 0.0 111.011 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.0 mtp -131.26 153.78 49.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.724 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.05 145.87 49.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.66 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -55.27 -46.8 76.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 110.812 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -39.91 87.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -66.93 -34.93 78.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.432 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.63 98.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.11 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.551 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 88.7 t -64.03 -37.84 80.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.122 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -56.61 -51.14 69.81 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.96 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.1 t -68.53 -37.75 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.118 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.471 ' CD2' HG13 ' A' ' 19' ' ' ILE . 45.2 tp -58.45 -43.37 88.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.54 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 3.0 mtp180 -58.24 -37.75 75.5 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.815 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 66.4 mm-40 -63.49 -43.96 95.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.559 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.6 mt -69.66 -41.36 80.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.63 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 t -64.84 -38.68 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.7 m -89.76 15.98 8.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.252 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.556 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -119.06 156.75 29.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.742 0.306 . . . . 0.0 110.177 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.34 145.43 26.33 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.322 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.35 173.25 13.26 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.57 131.56 11.54 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.475 2.117 . . . . 0.0 111.593 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.484 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 97.2 mt -99.74 122.36 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.752 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.1 m -107.37 113.16 26.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.917 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 mt -104.38 125.08 50.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.474 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.7 m -105.78 96.99 6.88 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 53' ' ' MET . 15.5 m -101.26 144.08 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.316 0.579 . . . . 0.0 112.474 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.47 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -110.24 114.45 27.94 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.403 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.308 -179.351 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.616 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 43.4 t30 . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.828 0.346 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 37.2 mt -98.52 126.43 51.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.921 0.391 . . . . 0.0 110.809 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -121.8 131.4 73.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.382 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.8 m -105.51 106.36 16.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.15 0.5 . . . . 0.0 110.574 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.4 m -106.12 157.14 6.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.672 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 85' ' ' SER . 0.7 OUTLIER -121.03 143.34 49.11 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.469 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.531 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 28.5 mt -114.65 137.69 51.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.704 0.288 . . . . 0.0 111.145 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.442 ' OD1' ' HB2' ' A' ' 10' ' ' GLU . 27.2 t-20 -85.31 108.67 17.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.862 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.2 mmm -87.29 12.21 12.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.16 0.505 . . . . 0.0 111.403 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 55.0 mm-40 -84.12 -55.59 4.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -84.64 -23.11 29.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.653 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -112.72 140.03 47.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.634 0.254 . . . . 0.0 110.548 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -100.71 -23.71 14.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.044 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -130.44 154.03 48.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.134 0.492 . . . . 0.0 110.619 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.408 HD21 HD12 ' A' ' 84' ' ' ILE . 14.5 mt -80.95 -36.97 30.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.487 -178.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.448 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 77.33 50.74 6.5 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.392 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pt -151.22 102.94 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.912 0.356 . . . . 0.0 110.716 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.478 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 81.6 p -75.47 121.28 22.11 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.163 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.7 mm -78.15 131.41 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.582 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.8 t -113.44 122.38 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.753 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.65 120.19 5.6 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.435 -0.888 . . . . 0.0 111.886 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -83.1 114.35 21.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.876 0.369 . . . . 0.0 110.194 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.7 m -107.71 170.34 8.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.566 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -174.61 -161.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.34 -35.35 79.22 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.447 ' HB3' ' OD1' ' A' ' 28' ' ' ASP . 22.0 mmt85 -82.75 -60.06 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.48 -23.36 10.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.606 -0.807 . . . . 0.0 113.482 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.447 ' OD1' ' HB3' ' A' ' 26' ' ' ARG . 2.8 p-10 -79.7 47.36 0.84 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.133 0.492 . . . . 0.0 111.548 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.34 -38.12 53.53 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.494 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.41 168.17 26.69 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.354 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 pt -100.82 130.13 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.13 0.491 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.468 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 39.6 m-85 -120.13 157.75 28.33 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.805 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.3 mm -76.38 111.81 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.672 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.24 -66.28 2.06 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.795 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -146.15 152.87 39.96 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.637 -0.331 . . . . 0.0 111.0 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -103.96 137.41 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.395 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.4 mmt -101.32 125.34 47.94 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -61.51 122.81 16.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.464 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.31 -15.13 20.56 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.766 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.2 167.02 54.06 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.639 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.95 -33.6 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.5 t -74.2 -34.8 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.38 . . . . 0.0 110.432 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.86 -15.43 63.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.105 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.27 -21.9 27.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.956 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -84.68 -76.52 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.58 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.19 -23.61 12.47 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.409 -0.901 . . . . 0.0 114.188 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -69.21 -32.99 72.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.684 0.742 . . . . 0.0 111.169 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.418 HG12 HG21 ' A' ' 88' ' ' VAL . 35.7 mt -85.16 133.94 28.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -137.33 162.05 57.42 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.784 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.87 111.12 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.478 2.118 . . . . 0.0 111.336 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.5 -13.56 6.54 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.138 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.414 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 89.6 m-20 -69.41 145.14 53.08 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.468 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 27.5 ttt -99.62 130.15 45.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.617 0.246 . . . . 0.0 111.151 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.9 mt -85.45 121.77 28.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.335 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 89' ' ' ALA . 58.3 mt -104.45 -60.77 1.54 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.187 0.518 . . . . 0.0 111.171 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -126.2 135.1 51.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.66 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.486 ' O ' HG22 ' A' ' 60' ' ' VAL . 85.4 t -131.13 101.0 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.108 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 62.4 61.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.964 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 74.78 -40.59 0.45 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.724 -1.125 . . . . 0.0 113.781 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 57' ' ' VAL . 33.4 m -71.29 129.73 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.325 0.583 . . . . 0.0 110.7 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -97.25 127.99 43.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.016 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -98.24 -5.35 33.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.713 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.57 -22.66 66.52 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.852 0.358 . . . . 0.0 111.437 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -111.71 30.91 6.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.903 0.382 . . . . 0.0 110.726 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.4 mtp -134.79 170.4 15.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.354 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.8 p -82.6 164.22 20.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -61.87 -32.0 72.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.359 0.599 . . . . 0.0 109.867 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 6.2 m-20 -74.06 -53.01 10.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.379 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -58.93 -39.29 81.14 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.643 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.45 -47.28 79.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.034 0.445 . . . . 0.0 110.993 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.78 -39.48 77.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.04 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 86.8 mtt180 -55.3 -50.4 69.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.9 t -70.29 -39.14 76.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.821 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.6 tp -56.48 -42.76 78.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.934 0.397 . . . . 0.0 110.52 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -57.23 -35.67 69.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.575 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 19.9 mm-40 -69.29 -36.21 76.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 111.282 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.7 mt -78.37 -39.64 24.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.211 0.529 . . . . 0.0 110.428 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.68 -37.38 79.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.01 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -92.9 23.0 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.898 0.38 . . . . 0.0 110.926 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 3.8 tp-100 -117.4 149.21 40.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.999 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 121.15 24.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.273 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.82 154.51 6.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.838 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.84 140.84 82.11 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.682 2.255 . . . . 0.0 112.536 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.408 HD12 HD21 ' A' ' 15' ' ' LEU . 36.2 mt -116.03 121.72 68.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 52.9 m -100.95 130.93 47.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.686 179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.5 mt -113.78 118.45 34.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.021 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m -96.96 97.96 9.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.418 HG21 HG12 ' A' ' 48' ' ' ILE . 5.0 m -103.3 144.29 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.471 0.653 . . . . 0.0 112.528 -178.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.713 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -106.3 121.84 45.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.746 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 22.6 mtpp . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.242 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.615 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 46.3 t30 . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.728 0.299 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.4 mt -93.83 123.4 45.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 110.946 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 mt -126.05 141.37 45.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.318 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 m -118.12 111.16 18.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.62 0.248 . . . . 0.0 110.482 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.78 146.49 22.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.921 0.391 . . . . 0.0 111.017 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 85' ' ' SER . 57.7 m -112.05 129.54 56.18 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.466 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 15.3 mt -105.6 144.44 32.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.298 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.474 HD21 ' HB2' ' A' ' 10' ' ' GLU . 13.8 t-20 -87.81 116.81 26.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.238 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 87.7 mmm -97.12 11.65 35.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.127 0.489 . . . . 0.0 111.254 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.474 ' HB2' HD21 ' A' ' 8' ' ' ASN . 60.8 mm-40 -83.11 -46.54 12.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.761 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -93.26 -12.32 30.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.403 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -110.89 152.22 26.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -109.16 -36.15 6.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.386 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -129.6 163.41 26.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.632 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.3 mt -86.1 -32.4 21.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.048 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.451 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 70.56 53.15 13.26 Favored Glycine 0 C--O 1.226 -0.39 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.789 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.509 ' H ' ' H11' ' A' ' 91' ' ' SUZ . 2.4 pt -150.46 103.73 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 116.852 0.326 . . . . 0.0 111.169 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.47 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 95.2 p -72.16 120.43 17.76 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.541 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.3 mm -81.3 130.5 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.499 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.7 t -122.42 111.75 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.11 125.11 6.77 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.382 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -78.1 123.16 26.54 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.17 160.06 21.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.776 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -172.5 -160.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.036 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.55 -42.86 97.44 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.161 0.288 . . . . 0.0 111.66 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -79.88 -67.47 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.196 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.9 -26.3 4.52 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.229 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -79.09 54.97 1.72 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.371 0.605 . . . . 0.0 111.536 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 -34.71 24.44 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.795 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.76 160.54 34.1 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.553 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 pt -93.74 133.0 36.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 0.0 110.993 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -120.17 157.93 28.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.5 mm -79.31 116.3 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 50' ' ' PRO . . . -80.4 -67.67 1.54 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.84 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.14 147.04 36.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.475 0.179 . . . . 0.0 110.71 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 49' ' ' GLU . 24.8 mt -100.36 137.18 28.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.215 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 16.1 mmt -104.43 133.51 49.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.344 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -61.91 136.73 58.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.643 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.15 -13.09 60.41 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.983 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.1 162.99 46.83 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.78 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.71 -37.64 82.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.683 0.278 . . . . 0.0 111.569 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.78 -32.59 41.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.169 0.509 . . . . 0.0 110.731 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.5 -25.74 66.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.309 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.48 4.63 30.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.661 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -100.66 -80.94 0.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.505 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.34 -26.17 6.12 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.579 -0.819 . . . . 0.0 113.588 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -77.4 -37.7 51.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.128 0.464 . . . . 0.0 111.512 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.0 mt -81.22 135.96 24.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HA ' HD11 ' A' ' 36' ' ' ILE . 8.3 pt-20 -144.85 165.04 24.2 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.538 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 50.3 Cg_exo -56.05 125.4 18.96 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.273 1.982 . . . . 0.0 111.424 178.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.35 -15.76 15.1 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.588 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.421 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 98.1 m-20 -71.52 140.56 49.96 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.424 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 27.8 ttt -97.99 130.47 44.83 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 mt -86.97 124.22 32.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.771 0.32 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.521 HD11 ' HB2' ' A' ' 89' ' ' ALA . 34.1 mt -108.3 -77.59 0.6 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.893 0.377 . . . . 0.0 111.133 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.44 ' H ' ' HB ' ' A' ' 87' ' ' THR . 4.3 tt0 -103.03 127.06 50.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.036 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.465 ' O ' HG22 ' A' ' 60' ' ' VAL . 97.1 t -123.86 95.9 3.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 1.6 m-20 59.74 69.75 0.69 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.906 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 78.3 m-20 78.34 -52.74 0.49 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.986 0.914 . . . . 0.0 113.169 178.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 57' ' ' VAL . 16.1 m -67.27 140.1 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.117 0.484 . . . . 0.0 111.607 -178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -116.04 140.12 49.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.779 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -106.95 8.65 30.63 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.53 -38.99 78.92 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -109.88 32.14 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.277 0.561 . . . . 0.0 110.914 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.7 mtp -129.92 149.9 51.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.249 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.88 152.75 45.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.361 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -55.84 -43.2 76.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.9 0.381 . . . . 0.0 110.724 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.64 -51.81 65.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.347 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 8.6 m-20 -63.75 -39.42 94.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.844 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.73 76.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.771 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.585 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 94.0 t -66.21 -41.39 89.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.232 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' A' ' 69' ' ' ASP . 89.6 mtt180 -55.1 -48.47 73.52 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.61 -40.85 82.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.671 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.9 tp -57.5 -43.22 84.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.813 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 13.3 mtp85 -60.45 -35.28 75.49 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.157 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 25.9 mm-40 -66.9 -42.88 84.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.815 0.34 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 38.7 mt -72.55 -40.0 62.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.556 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.6 -38.98 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.053 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.1 m -89.9 24.98 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.899 0.38 . . . . 0.0 111.261 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 1.5 tp-100 -127.36 150.39 49.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.294 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.49 152.28 37.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.866 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.84 154.16 10.01 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.623 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.07 142.14 79.67 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.927 2.418 . . . . 0.0 112.029 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.6 mt -117.65 121.81 68.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.995 0.426 . . . . 0.0 110.832 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 23.7 m -101.26 117.99 36.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.781 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.8 mt -103.78 121.3 42.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.328 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.44 ' HB ' ' H ' ' A' ' 56' ' ' GLN . 2.8 m -96.64 99.06 10.7 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 177.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.6 m -97.04 149.48 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.379 0.609 . . . . 0.0 112.08 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.521 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -116.24 112.38 21.52 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.306 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.421 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 23.8 mtpp . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.392 -0.813 . . . . 0.0 110.232 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.596 ' O3 ' ' H9 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 61.5 mt -97.17 132.12 42.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.546 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.7 mt -126.07 133.26 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.923 0.392 . . . . 0.0 110.908 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.66 108.37 18.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.925 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.5 m -112.43 156.35 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.876 0.369 . . . . 0.0 111.203 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 t -112.8 143.18 44.48 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.65 141.33 46.56 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.088 0.471 . . . . 0.0 111.519 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.445 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 26.1 t-20 -87.79 100.63 13.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.3 mmm -87.33 4.0 44.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.587 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -73.89 -60.43 2.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.577 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.43 -42.77 22.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.341 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 20.7 m80 -79.11 145.9 33.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.37 -179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -101.29 -21.33 14.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.656 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -145.64 173.87 11.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 111.287 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.465 HD11 HG22 ' A' ' 78' ' ' VAL . 13.2 mt -88.86 -42.71 11.7 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.494 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.461 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 79.44 46.91 7.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.23 -0.509 . . . . 0.0 112.844 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 pt -148.35 106.18 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.486 ' CA ' ' H9B' ' A' ' 91' ' ' SUZ . 76.7 p -71.72 136.46 47.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.378 0.609 . . . . 0.0 111.03 -178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.439 ' H ' ' H19' ' A' ' 91' ' ' SUZ . 21.9 mm -92.03 127.86 44.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.34 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -114.84 112.84 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.738 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.3 104.62 2.73 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.047 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.618 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.4 tt0 -64.81 118.67 9.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.198 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -106.96 153.43 22.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.946 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -155.16 -175.34 5.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.4 -37.15 86.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.686 0.279 . . . . 0.0 111.182 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -77.13 -68.06 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.341 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.72 -29.82 1.84 Allowed Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.193 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -79.51 76.16 6.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.618 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -92.36 -63.97 1.12 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.307 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.35 147.96 9.27 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.15 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 pt -89.63 123.61 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.259 0.552 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.479 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 43.0 m-85 -114.94 157.37 23.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.462 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.8 mm -79.63 111.26 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.376 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.39 -80.3 0.51 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.912 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.42 146.46 50.47 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.788 0.327 . . . . 0.0 110.896 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 49' ' ' GLU . 35.2 mt -98.35 142.43 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.1 mmt -111.74 128.13 56.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.917 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -65.94 118.39 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.107 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.4 -11.95 8.47 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.13 169.74 44.33 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.12 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 12' ' ' HIS . . . -64.69 -36.81 85.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.56 -32.15 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.982 0.42 . . . . 0.0 111.08 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.69 -4.64 24.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.039 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.41 9.73 27.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.477 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -108.79 -67.06 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.266 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.98 -17.76 41.0 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.493 -0.86 . . . . 0.0 114.699 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -78.91 -32.32 45.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 117.961 0.88 . . . . 0.0 111.556 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.1 mt -89.44 135.91 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.505 ' HA ' HD11 ' A' ' 36' ' ' ILE . 9.3 pt-20 -142.41 163.32 39.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.442 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.14 125.59 19.67 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.339 2.026 . . . . 0.0 111.75 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.44 -14.57 18.03 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.903 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 95.3 m-20 -74.14 146.62 43.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.479 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 26.9 ttt -105.39 137.97 42.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.491 0.186 . . . . 0.0 110.612 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.8 mt -88.52 119.47 29.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 89' ' ' ALA . 70.2 mt -97.05 -67.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.099 0.476 . . . . 0.0 110.605 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -120.88 132.87 55.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.066 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.428 HG13 HD23 ' A' ' 86' ' ' LEU . 57.3 t -125.88 98.29 4.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.817 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 1.4 m-20 60.43 61.3 1.79 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.573 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.481 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 34.6 m-20 81.38 -45.18 0.2 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.21 1.004 . . . . 0.0 113.489 178.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.4 m -70.31 127.03 31.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.573 0.701 . . . . 0.0 110.775 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -97.58 133.62 41.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.413 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -109.29 5.03 23.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -61.26 -36.4 79.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.877 0.37 . . . . 0.0 111.267 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -110.91 36.27 3.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.929 0.395 . . . . 0.0 110.918 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 90.2 mtp -130.72 153.81 48.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.222 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.95 155.46 40.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.334 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -53.79 -47.27 70.95 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.026 0.441 . . . . 0.0 110.943 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.84 -51.96 67.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.164 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -59.97 -39.18 84.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.656 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.54 -47.53 83.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.057 0.456 . . . . 0.0 110.37 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.446 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 94.8 t -67.29 -38.19 80.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.57 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -58.28 -51.08 71.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.362 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.11 -41.18 91.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.819 0.343 . . . . 0.0 110.474 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.57 -42.07 87.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.551 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 33.5 mtp85 -58.71 -37.39 75.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -67.85 -36.84 81.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.989 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.7 mt -75.34 -41.32 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.284 0.564 . . . . 0.0 110.198 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.465 HG22 HD11 ' A' ' 15' ' ' LEU . 40.4 t -63.67 -33.94 64.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.204 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m -94.24 24.56 4.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.143 0.497 . . . . 0.0 110.659 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -120.33 177.27 5.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.268 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.19 127.54 55.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.518 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.87 158.73 7.76 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.938 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.37 124.97 14.18 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.718 2.279 . . . . 0.0 111.814 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.26 122.93 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.08 0.467 . . . . 0.0 111.139 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.43 123.75 46.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.924 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.428 HD23 HG13 ' A' ' 57' ' ' VAL . 95.0 mt -109.34 118.83 37.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.748 -178.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -100.23 95.3 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.6 m -96.41 145.78 8.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -108.47 115.94 31.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.903 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 22.5 mtpp . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.559 -0.734 . . . . 0.0 109.763 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.597 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.574 0.226 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 mt -93.76 122.2 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.79 0.329 . . . . 0.0 110.292 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 mt -116.43 135.75 55.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.816 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 m -110.41 115.63 29.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.746 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.8 m -120.75 145.37 27.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.01 0.433 . . . . 0.0 111.338 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.3 t -102.13 140.85 35.86 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.0 mt -117.77 129.89 55.96 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.919 0.39 . . . . 0.0 111.742 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -80.22 112.75 17.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.025 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mmm -98.39 15.77 23.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.985 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -83.71 -56.5 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -85.24 -19.9 30.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.31 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -99.41 145.98 26.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.561 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -113.15 -6.11 13.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.919 0.39 . . . . 0.0 110.38 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -156.27 161.99 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.131 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.535 HD21 HD12 ' A' ' 84' ' ' ILE . 60.1 mt -87.14 -35.1 18.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.346 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.471 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 72.67 53.28 8.54 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.769 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.417 ' H ' ' H11' ' A' ' 91' ' ' SUZ . 1.1 pt -154.67 104.99 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.973 0.387 . . . . 0.0 110.707 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.44 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 87.8 p -74.53 127.82 34.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.264 0.554 . . . . 0.0 110.649 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.7 mm -83.58 130.03 36.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.27 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.0 t -121.33 117.03 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.735 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.14 129.45 9.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.566 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -80.48 112.84 18.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.955 0.407 . . . . 0.0 110.126 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -98.81 151.65 20.58 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.171 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -163.57 -162.4 0.72 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -61.74 -48.97 78.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.641 0.258 . . . . 0.0 110.739 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -80.46 -50.97 9.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.789 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.54 13.78 25.3 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.827 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -100.25 26.9 6.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.99 0.424 . . . . 0.0 110.482 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.0 -43.16 97.08 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.35 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.23 166.16 28.85 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.245 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.0 pt -98.05 134.84 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.187 0.518 . . . . 0.0 111.383 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -124.55 161.44 26.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.501 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.1 mm -78.28 119.25 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.953 178.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.46 -80.59 1.12 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.627 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.3 m -124.2 146.8 48.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.979 0.418 . . . . 0.0 111.397 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.464 HD11 ' HA ' ' A' ' 49' ' ' GLU . 43.4 mt -102.24 143.85 14.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.214 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.3 mmt -112.07 131.98 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -62.62 134.52 56.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.569 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.77 -7.93 63.37 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.106 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.68 160.62 49.07 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.358 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.46 73.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.796 0.332 . . . . 0.0 111.363 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.5 t -71.15 -39.65 73.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 120.932 0.396 . . . . 0.0 110.769 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.3 69.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.276 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.2 -18.8 60.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -92.13 -64.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.973 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.9 -14.17 61.74 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.642 -0.79 . . . . 0.0 114.521 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -72.45 -25.83 61.6 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 117.852 0.826 . . . . 0.0 111.75 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.6 mt -94.86 134.43 32.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HA ' HD11 ' A' ' 36' ' ' ILE . 10.9 pt-20 -137.87 166.81 23.4 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.911 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.75 137.15 77.55 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.303 2.002 . . . . 0.0 111.897 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.57 -15.03 61.54 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.787 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -67.07 141.29 57.54 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.3 ttt -95.02 123.76 38.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.459 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 mt -86.93 112.94 22.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' A' ' 89' ' ' ALA . 40.8 mt -94.87 -61.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.89 0.376 . . . . 0.0 111.685 -178.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -124.52 139.8 53.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.83 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.0 t -133.17 100.71 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.661 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 m120 62.29 67.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.382 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 73.47 -54.22 0.69 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.133 0.973 . . . . 0.0 113.314 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.5 m -63.01 119.34 6.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.55 0.691 . . . . 0.0 111.256 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -93.9 138.01 32.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.03 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -110.01 9.28 24.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.629 0.252 . . . . 0.0 111.464 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.56 -27.98 69.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.973 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -118.63 27.76 8.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.0 110.606 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 92.3 mtp -118.46 161.25 20.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.362 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.97 151.9 41.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.135 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -52.55 -49.63 64.5 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.357 0.411 . . . . 0.0 111.681 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.56 -49.6 76.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.654 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -38.9 88.49 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.224 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.22 -46.61 85.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.096 0.474 . . . . 0.0 110.185 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.7 t -66.38 -38.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.464 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 72' ' ' ARG . 62.9 mtt180 -58.12 -51.6 69.02 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.264 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.98 -42.38 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.47 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.8 tp -58.3 -41.27 84.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.064 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -58.58 -42.98 89.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.189 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -61.96 -39.38 91.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.42 -44.02 63.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.768 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.1 t -63.82 -33.48 62.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.332 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 m -88.14 8.11 28.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.309 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.24 160.16 16.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.939 0.399 . . . . 0.0 110.606 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 m -89.11 132.26 34.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.06 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.7 160.08 8.77 Favored Glycine 0 N--CA 1.452 -0.269 0 N-CA-C 111.911 -0.475 . . . . 0.0 111.911 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.5 138.78 67.0 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.989 2.459 . . . . 0.0 112.331 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.535 HD12 HD21 ' A' ' 15' ' ' LEU . 20.2 mt -105.77 128.15 60.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.5 m -103.11 110.97 23.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.184 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.0 mt -102.78 129.11 49.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.062 0.458 . . . . 0.0 111.331 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.15 101.25 8.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.9 m -106.36 147.78 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.286 0.565 . . . . 0.0 112.222 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.697 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -111.14 110.87 21.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.478 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.246 -179.343 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.577 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.3 t30 . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.6 mt -97.6 125.63 50.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.89 0.376 . . . . 0.0 110.454 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.7 mt -123.89 131.9 72.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.136 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -106.79 117.02 32.96 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.2 m -114.22 145.84 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.763 0.316 . . . . 0.0 111.423 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 t -107.55 128.42 54.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 29.0 mt -108.04 155.7 20.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.115 0.483 . . . . 0.0 111.564 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -99.88 113.17 25.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.619 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 98.8 mmm -95.96 20.53 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.585 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -99.06 -58.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -72.66 -28.83 62.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.252 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -105.75 155.35 19.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.613 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -117.19 -30.65 5.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.622 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -126.87 154.68 44.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.008 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.1 mt -78.78 -35.19 44.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.77 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.41 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 74.43 50.37 9.97 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.395 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 pt -152.65 107.16 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.47 ' CA ' ' H9B' ' A' ' 91' ' ' SUZ . 60.1 p -71.17 137.36 48.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.347 0.594 . . . . 0.0 110.959 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.614 ' H ' ' H19' ' A' ' 91' ' ' SUZ . 6.6 mm -94.07 119.52 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.081 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.5 t -114.07 116.52 52.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.96 137.18 13.74 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.437 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -95.85 114.61 26.35 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -123.02 104.37 9.18 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.994 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -102.7 -151.27 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -62.52 -43.21 99.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.01 0.433 . . . . 0.0 110.442 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -70.37 -61.42 1.78 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.306 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.38 -37.83 2.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.53 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -81.06 68.51 7.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.366 0.603 . . . . 0.0 110.95 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.04 -24.25 25.37 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.328 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.2 172.09 36.9 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.613 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 pt -112.51 132.76 60.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.038 0.447 . . . . 0.0 110.594 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -121.29 155.93 33.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.621 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.6 mm -72.71 124.54 29.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.131 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.75 -82.88 1.02 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.147 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.57 145.84 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.57 0.224 . . . . 0.0 110.72 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.414 HD11 ' HA ' ' A' ' 49' ' ' GLU . 28.9 mt -100.04 128.55 51.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.035 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.0 mmt -98.28 127.31 44.15 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.598 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -64.28 139.36 58.76 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.567 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.4 -9.99 61.13 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.366 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.02 168.69 47.31 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.337 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -62.18 -37.68 86.2 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.1 t -73.79 -33.53 37.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.877 0.37 . . . . 0.0 110.936 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.57 -19.92 65.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.393 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.97 -16.22 30.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.892 0.377 . . . . 0.0 110.986 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.453 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 10.1 t70 -89.82 -64.92 1.07 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.013 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.84 -15.37 63.2 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.562 -0.828 . . . . 0.0 114.347 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' HB2' ' OD1' ' A' ' 45' ' ' ASP . 67.0 mtm180 -69.52 -24.29 63.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.857 0.829 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 54.8 mt -96.93 137.88 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' HA ' HD11 ' A' ' 36' ' ' ILE . 10.1 pt-20 -138.65 161.71 57.05 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.557 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.96 124.45 16.31 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.329 2.019 . . . . 0.0 111.547 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.04 -19.84 17.52 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.661 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -64.29 133.46 52.76 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.8 ttt -91.1 131.72 36.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.299 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.9 mt -83.85 121.92 28.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.931 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.602 HD11 ' HB2' ' A' ' 89' ' ' ALA . 47.3 mt -107.17 -68.15 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.167 0.508 . . . . 0.0 110.731 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.426 ' H ' ' HB ' ' A' ' 87' ' ' THR . 3.7 tt0 -111.66 123.23 49.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.822 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.556 ' O ' HG22 ' A' ' 60' ' ' VAL . 77.7 t -117.16 106.39 20.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.987 0.422 . . . . 0.0 110.67 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.422 ' OD1' ' HA ' ' A' ' 84' ' ' ILE . 2.1 t30 55.61 60.66 3.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.464 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.6 t0 78.5 -36.96 0.2 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 57' ' ' VAL . 7.5 m -79.4 141.64 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.239 0.543 . . . . 0.0 111.014 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -102.85 139.74 38.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.263 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -116.63 4.31 13.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.399 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -56.24 -35.03 66.92 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -107.8 20.04 19.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 93.5 mtp -116.11 164.22 14.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.0 p -75.67 158.92 31.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.549 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -59.81 -41.19 90.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.11 0.481 . . . . 0.0 110.247 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.0 -51.64 67.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.999 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -65.63 -36.9 85.04 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.555 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.43 -48.15 77.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.916 0.389 . . . . 0.0 110.328 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.66 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 93.2 t -67.64 -39.15 81.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.417 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -55.16 -48.82 73.2 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.586 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 36.6 t -68.29 -40.5 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 0.0 110.216 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.451 HD13 HG11 ' A' ' 57' ' ' VAL . 26.7 tp -58.63 -39.71 81.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.554 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 41.3 mtp85 -56.56 -45.29 81.37 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.418 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 73.6 mm-40 -66.01 -40.53 91.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.158 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.23 -42.73 88.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.072 0.463 . . . . 0.0 110.808 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.1 t -67.6 -35.08 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.307 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.2 m -91.56 19.36 6.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.413 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 1.5 tp-100 -118.25 147.26 43.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.37 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.01 125.45 28.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.324 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.03 156.33 6.74 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.59 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.33 143.75 48.97 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.422 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 69.8 mt -118.18 127.2 75.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.552 -178.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 51.0 m -102.93 123.62 46.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.504 178.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.8 mt -107.95 129.08 55.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.958 0.408 . . . . 0.0 111.679 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.426 ' HB ' ' H ' ' A' ' 56' ' ' GLN . 1.3 m -108.11 103.71 12.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.159 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 m -108.0 150.41 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.32 0.581 . . . . 0.0 112.415 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.602 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -107.6 109.33 20.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.163 178.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.358 -0.829 . . . . 0.0 109.832 -179.818 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.614 ' H19' ' H ' ' A' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 66.4 t30 . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.8 mt -95.92 122.83 47.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.984 0.421 . . . . 0.0 110.588 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.7 mt -120.14 128.32 75.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.04 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -107.41 124.07 49.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.112 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 85' ' ' SER . 18.0 m -118.72 145.28 24.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.076 0.465 . . . . 0.0 111.737 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.21 115.76 30.72 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.525 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 36.6 mt -99.21 145.6 27.07 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.565 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -96.73 119.66 35.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.424 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.6 mmm -99.94 13.59 33.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.951 0.405 . . . . 0.0 111.397 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -83.89 -51.17 7.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -86.08 -30.46 22.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.55 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -97.03 144.86 26.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.231 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -108.6 -13.61 14.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.441 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -146.54 162.06 39.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.189 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.6 mt -84.02 -36.99 22.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.167 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.484 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 74.43 53.81 6.5 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.995 -0.548 . . . . 0.0 113.036 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -157.85 107.91 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 122.494 0.317 . . . . 0.0 110.559 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.455 ' CA ' ' H9B' ' A' ' 91' ' ' SUZ . 95.1 p -75.46 130.34 38.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.153 0.501 . . . . 0.0 110.302 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.1 mm -83.81 130.22 36.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.434 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.5 t -121.61 114.49 43.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.934 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.74 132.87 11.42 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.946 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.407 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 9.4 tt0 -85.43 116.13 23.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.819 0.342 . . . . 0.0 110.232 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.2 m -98.25 164.64 12.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.09 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -172.94 -175.25 1.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.53 -24.13 66.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.304 0.573 . . . . 0.0 109.718 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -84.87 -76.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.626 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.57 -31.75 2.55 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.839 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -80.37 53.18 1.75 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.391 0.615 . . . . 0.0 111.436 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -77.52 -33.6 42.74 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.173 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.98 174.45 39.41 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.074 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 pt -111.74 131.35 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.112 0.482 . . . . 0.0 111.524 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -117.82 165.82 13.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.448 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.62 118.67 32.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.739 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -79.4 -76.94 0.94 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.652 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 m -132.07 143.8 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.523 -0.398 . . . . 0.0 110.97 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.751 HD11 ' HA ' ' A' ' 49' ' ' GLU . 66.2 mt -91.48 141.6 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.383 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 17.9 mmt -106.7 122.52 46.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.137 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -59.62 120.93 10.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.751 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.14 -6.67 28.88 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.248 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.42 166.28 45.56 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.573 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -59.9 -37.44 79.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.683 0.277 . . . . 0.0 111.673 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.423 ' CG1' ' HB ' ' A' ' 48' ' ' ILE . 98.6 t -72.15 -34.92 51.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.022 0.439 . . . . 0.0 110.82 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.42 -23.6 67.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.6 -23.0 40.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.354 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -81.39 -65.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.81 -17.75 54.04 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.37 -0.919 . . . . 0.0 114.491 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -76.23 -21.46 56.36 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.021 0.91 . . . . 0.0 111.882 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.423 ' HB ' ' CG1' ' A' ' 42' ' ' VAL . 32.7 mt -96.13 133.44 37.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.764 0.316 . . . . 0.0 110.151 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.751 ' HA ' HD11 ' A' ' 36' ' ' ILE . 8.4 pt-20 -142.82 165.21 27.73 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.17 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -53.3 126.39 21.49 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.359 2.039 . . . . 0.0 111.759 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.05 -20.36 16.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.328 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 95.3 m-20 -68.28 136.81 54.05 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.1 ttt -97.98 130.35 44.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.756 0.312 . . . . 0.0 111.581 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.7 mt -82.61 108.69 16.19 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 89' ' ' ALA . 49.4 mt -94.22 -51.88 4.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.007 0.432 . . . . 0.0 111.397 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -131.56 138.74 49.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.983 -178.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.663 ' O ' HG22 ' A' ' 60' ' ' VAL . 98.8 t -134.84 109.51 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.8 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m120 55.8 56.87 5.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.558 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 73.35 -14.74 0.6 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 57' ' ' VAL . 2.3 m -88.61 138.0 20.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 121.66 -0.65 . . . . 0.0 110.332 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -100.33 132.16 45.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.761 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -105.65 -3.98 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.393 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -65.02 -17.22 64.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.953 0.406 . . . . 0.0 111.683 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -117.1 18.85 14.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.966 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 96.5 mtp -123.38 155.86 36.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.759 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -68.72 157.84 35.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.538 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -56.44 -45.96 80.54 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.939 0.399 . . . . 0.0 110.626 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.41 -44.26 91.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.764 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.476 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 4.2 m-20 -62.37 -40.34 96.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.159 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.22 88.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.567 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 86.9 t -65.81 -41.44 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.409 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.476 ' HD2' ' HA ' ' A' ' 69' ' ' ASP . 91.3 mtt180 -55.99 -49.59 73.21 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.237 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.55 -41.96 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 78' ' ' VAL . 35.9 tp -57.39 -43.63 83.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.659 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 24.1 mtp180 -57.88 -35.79 71.49 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.439 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 64.0 mm-40 -65.88 -37.55 86.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.0 mt -77.07 -41.11 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.5 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 74' ' ' LEU . 87.8 t -65.16 -31.87 55.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.2 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.6 m -97.2 25.69 5.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.111 0.482 . . . . 0.0 111.188 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 2.3 tp-100 -124.83 151.39 45.3 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.77 118.39 27.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.915 0.388 . . . . 0.0 110.839 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.22 171.11 23.72 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.739 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.99 135.96 28.67 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.698 2.265 . . . . 0.0 112.253 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 72.8 mt -114.27 122.48 68.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.155 0.502 . . . . 0.0 110.69 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.4 m -114.73 120.16 39.14 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.612 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 mt -106.69 129.96 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.391 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -107.74 100.03 9.45 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 20.1 m -105.08 154.02 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.159 0.504 . . . . 0.0 111.777 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.477 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -113.02 120.86 42.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.496 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 23.6 mtpp . . . . . 0 C--O 1.253 1.247 0 CA-C-O 118.338 -0.839 . . . . 0.0 109.5 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.629 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.7 mt -99.57 130.72 48.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.869 0.366 . . . . 0.0 111.132 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 mt -124.49 129.02 73.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.584 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -109.27 118.15 35.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.998 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -117.41 143.49 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.812 0.339 . . . . 0.0 111.372 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 t -109.55 113.62 26.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.1 mt -94.52 137.63 33.41 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -84.04 112.38 20.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.506 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.0 mmm -96.92 20.05 11.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.248 0.547 . . . . 0.0 110.853 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -85.07 -49.82 7.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.532 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -88.66 -30.51 19.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.374 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -93.96 149.51 21.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.735 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -112.92 -10.36 13.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.06 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -151.14 162.05 41.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.816 0.341 . . . . 0.0 110.618 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -83.2 -39.29 21.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.462 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 76.5 53.44 5.51 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.433 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.56 HG22 HG12 ' A' ' 36' ' ' ILE . 1.8 pt -155.21 106.68 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 116.636 0.218 . . . . 0.0 110.691 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.429 ' CA ' ' H9B' ' A' ' 91' ' ' SUZ . 88.8 p -73.67 118.61 16.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.498 0.666 . . . . 0.0 110.374 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.0 mm -75.29 131.92 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.137 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.5 t -114.16 124.35 70.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.054 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.37 113.78 4.64 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.925 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.4 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.0 tt0 -76.15 115.12 15.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.11 0.481 . . . . 0.0 110.401 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.2 m -112.88 142.11 45.93 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.578 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -143.37 -160.74 1.15 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.151 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.06 -44.66 88.24 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.97 0.169 . . . . 0.0 111.113 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -72.79 -66.0 0.72 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.062 0.458 . . . . 0.0 110.054 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.46 -42.79 1.01 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.519 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -74.08 92.7 2.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.335 0.588 . . . . 0.0 110.591 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -114.0 -29.73 2.73 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.842 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.55 162.22 36.94 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.611 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.5 pt -101.13 128.97 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.135 0.493 . . . . 0.0 110.398 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 44.3 m-85 -117.74 162.4 18.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.235 -178.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.4 mm -82.05 121.08 34.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.742 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.32 -88.37 1.33 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.966 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.3 m -113.99 131.34 56.37 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.045 0.45 . . . . 0.0 111.634 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.56 HG12 HG22 ' A' ' 17' ' ' ILE . 47.2 mt -91.86 135.3 27.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.485 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 20.0 mmt -104.46 131.51 51.76 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.962 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -67.77 131.1 44.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.671 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.92 -9.78 34.26 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.33 164.98 36.96 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.706 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.16 73.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.56 0.219 . . . . 0.0 111.409 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.8 t -73.39 -39.28 54.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.681 0.276 . . . . 0.0 111.012 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.99 73.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.196 0.522 . . . . 0.0 110.246 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.73 -16.73 58.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.751 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -82.49 -65.55 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.12 -7.94 69.73 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.578 -0.82 . . . . 0.0 114.949 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -85.82 -26.08 25.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.272 1.036 . . . . 0.0 111.522 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.8 mt -92.52 137.59 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -138.95 162.84 50.31 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.613 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.21 129.7 36.21 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.549 2.166 . . . . 0.0 112.118 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.88 -20.28 22.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.656 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -72.8 143.29 47.95 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.56 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 25.0 ttt -100.04 139.83 35.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.741 0.305 . . . . 0.0 111.501 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.3 125.36 34.63 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' A' ' 89' ' ' ALA . 14.6 mt -103.6 -66.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.146 0.498 . . . . 0.0 111.021 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -121.62 137.37 54.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.632 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.1 t -133.97 101.06 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.083 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 4.7 m-20 64.18 58.89 1.1 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 28.7 m-20 77.91 -45.91 0.44 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.941 -1.027 . . . . 0.0 113.4 178.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 m -67.94 130.12 32.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.49 0.662 . . . . 0.0 110.951 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -98.44 133.62 42.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.538 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -107.19 -2.85 20.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.284 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.74 -41.2 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.111 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -108.31 30.0 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.042 0.448 . . . . 0.0 111.393 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.5 mtp -118.07 162.89 17.45 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.256 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.29 147.28 40.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.066 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -51.29 -47.47 62.53 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.019 0.438 . . . . 0.0 111.13 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.46 -51.32 70.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.367 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.427 ' O ' HG23 ' A' ' 73' ' ' VAL . 10.5 m-20 -65.31 -37.93 88.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.756 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.78 86.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.963 0.411 . . . . 0.0 110.296 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.607 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 78.0 t -65.71 -41.02 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.333 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -57.53 -50.86 71.7 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.702 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 69' ' ' ASP . 44.7 t -61.84 -41.32 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.749 0.309 . . . . 0.0 110.276 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.64 -39.4 84.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.149 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.607 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 59.7 mtp85 -58.64 -44.4 90.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -61.63 -45.08 95.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.654 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.17 -43.71 84.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.085 0.469 . . . . 0.0 110.716 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.3 t -63.24 -30.29 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.59 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.5 m -89.56 -1.46 58.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.875 0.369 . . . . 0.0 110.819 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.16 164.71 11.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.606 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.82 144.21 25.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.19 161.33 10.68 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.193 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -69.54 135.84 32.01 Favored 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 122.354 2.036 . . . . 0.0 111.985 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -107.72 121.55 60.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.788 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -100.27 119.42 38.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.76 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.8 mt -105.85 129.94 53.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.657 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.24 103.32 11.46 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.6 m -107.49 151.32 9.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.286 0.565 . . . . 0.0 112.409 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.593 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -106.57 110.86 23.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.48 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.282 -0.865 . . . . 0.0 110.734 -179.026 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.644 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.818 0.342 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 88' ' ' VAL . 7.5 mt -89.54 119.41 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.873 0.368 . . . . 0.0 110.96 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.4 HG22 HG13 ' A' ' 5' ' ' VAL . 41.7 mt -113.46 124.24 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.865 0.364 . . . . 0.0 110.411 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.2 m -96.91 113.77 25.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.841 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.4 HG13 HG22 ' A' ' 3' ' ' ILE . 26.5 m -122.52 143.1 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.997 0.427 . . . . 0.0 111.507 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -106.67 142.08 36.9 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.475 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 20.2 mt -117.05 142.57 46.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.156 0.503 . . . . 0.0 111.599 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -87.56 115.83 25.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.348 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 95.9 mmm -100.06 15.15 28.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.967 0.413 . . . . 0.0 111.437 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -86.94 -50.19 6.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.349 0.595 . . . . 0.0 109.635 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -87.79 -19.0 28.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.232 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -108.82 136.92 47.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.357 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -99.34 -10.37 22.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -152.07 167.66 27.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.695 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.7 mt -88.32 -39.09 14.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.51 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.477 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 77.4 47.3 9.1 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.541 -179.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.462 HG22 HG12 ' A' ' 36' ' ' ILE . 2.7 pt -148.9 106.75 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 116.801 0.3 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.422 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 48.6 p -73.43 130.24 39.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.393 0.616 . . . . 0.0 110.85 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.452 ' H ' ' H19' ' A' ' 91' ' ' SUZ . 11.1 mm -87.67 129.71 38.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.732 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.1 t -119.1 116.25 50.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.001 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.58 131.95 10.74 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.929 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -87.98 102.88 15.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.063 0.458 . . . . 0.0 110.203 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -98.02 148.62 23.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.21 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -165.38 -167.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.72 -40.71 69.52 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.631 0.253 . . . . 0.0 110.963 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -81.41 -65.58 0.99 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.82 -26.11 6.29 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.222 -0.99 . . . . 0.0 113.714 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -85.28 44.11 1.07 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.156 0.503 . . . . 0.0 111.421 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.76 -32.51 81.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.626 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.69 168.58 27.52 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.334 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.4 pt -102.8 130.23 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.158 0.504 . . . . 0.0 111.057 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -118.54 157.26 27.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.304 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.6 mm -78.08 118.92 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.23 -68.43 1.44 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.693 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 p -137.27 144.06 42.51 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.43 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.462 HG12 HG22 ' A' ' 17' ' ' ILE . 61.7 mt -102.64 134.73 42.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.1 mmt -108.74 135.04 50.62 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.972 0.415 . . . . 0.0 110.674 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -66.36 135.57 54.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.31 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.85 -14.3 37.92 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.433 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.96 164.73 41.05 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.382 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.475 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.63 -36.3 78.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.705 0.288 . . . . 0.0 111.625 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -70.99 -35.31 58.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.824 0.345 . . . . 0.0 110.825 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.99 -22.95 66.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.503 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.92 -14.49 56.06 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.789 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -88.62 -73.29 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.1 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.08 -20.5 28.53 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.931 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -72.44 -31.11 65.2 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 117.391 0.596 . . . . 0.0 111.876 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.7 mt -86.39 137.56 20.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HA ' HD11 ' A' ' 36' ' ' ILE . 8.0 pt-20 -141.42 162.1 49.08 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.169 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.13 129.92 37.46 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.043 1.829 . . . . 0.0 111.062 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.71 -13.85 32.35 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.426 -178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 86.3 m-20 -69.89 134.89 48.92 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.7 ttt -96.79 130.39 44.06 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.692 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.9 mt -87.95 125.54 34.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 89' ' ' ALA . 75.1 mt -103.04 -71.24 0.73 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.125 0.488 . . . . 0.0 111.097 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -112.16 131.02 55.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.546 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.551 ' O ' HG23 ' A' ' 60' ' ' VAL . 78.0 t -122.8 103.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.596 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.6 m120 55.33 70.89 0.58 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.614 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 76.57 -50.51 0.58 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.901 0.881 . . . . 0.0 113.01 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -68.67 127.15 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.032 0.444 . . . . 0.0 111.95 -178.681 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -99.4 129.36 45.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.697 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -102.42 14.81 30.97 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -69.99 -14.94 62.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.637 0.256 . . . . 0.0 111.623 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -120.76 17.72 11.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.92 0.391 . . . . 0.0 110.84 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 76.7 mtp -122.97 149.55 44.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.006 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m -71.51 160.34 32.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.711 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -52.24 -44.24 64.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.246 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.34 -46.9 79.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.151 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.79 -37.46 67.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.554 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.24 -47.07 79.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.197 0.522 . . . . 0.0 110.599 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 85.6 t -69.47 -35.34 66.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.512 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -55.88 -55.18 35.62 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.801 0.334 . . . . 0.0 110.941 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.64 -41.55 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.504 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.08 -43.69 91.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.065 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 44.6 mtp85 -59.46 -37.01 77.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.798 0.333 . . . . 0.0 110.882 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -70.27 -40.27 74.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.6 mt -69.5 -41.63 80.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.167 0.508 . . . . 0.0 110.077 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.1 t -62.69 -32.05 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.617 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.6 m -91.22 18.57 6.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 111.274 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.23 160.66 18.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.847 0.356 . . . . 0.0 110.171 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.58 98.36 8.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.39 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 178.64 169.47 39.39 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.862 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.89 126.73 15.74 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.679 2.252 . . . . 0.0 111.961 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 84.0 mt -103.99 129.36 56.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.567 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 m -124.86 125.95 44.79 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.0 mt -115.83 145.55 42.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.468 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 24.5 p -113.96 105.32 13.1 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 2' ' ' ILE . 10.6 m -96.06 127.35 48.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.301 0.572 . . . . 0.0 112.079 -178.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.479 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -93.7 94.99 8.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.91 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 19.9 mtpp . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.328 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.604 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.5 t30 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.94 0.4 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 63.1 mt -97.02 115.32 36.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.218 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.7 mt -114.72 137.78 47.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.906 0.384 . . . . 0.0 110.656 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -114.14 112.88 23.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.551 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 m -113.14 143.07 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.87 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -107.45 123.57 48.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.434 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 41.1 mt -93.29 142.26 27.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.4 -178.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -91.9 112.23 24.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.1 mmm -95.12 13.13 26.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.491 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -86.52 -48.09 8.68 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -91.44 -9.99 42.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.623 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -115.97 155.3 28.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.832 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -120.95 -11.57 8.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.336 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -147.9 160.68 42.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.194 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 mt -87.8 -33.5 18.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.982 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.14 52.47 11.09 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.474 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -154.3 107.04 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 116.714 0.257 . . . . 0.0 110.638 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.419 ' N ' ' H9B' ' A' ' 91' ' ' SUZ . 82.5 p -74.14 123.69 24.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.367 0.603 . . . . 0.0 110.942 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.1 mm -81.81 123.88 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.094 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.4 t -116.24 115.8 50.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.295 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.73 132.45 11.16 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.816 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.411 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 9.1 tt0 -91.57 115.12 27.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.651 0.263 . . . . 0.0 110.693 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.55 162.56 12.85 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -163.84 -152.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -51.44 43.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.76 0.314 . . . . 0.0 110.506 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -77.04 -61.67 1.9 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.108 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.5 -25.33 3.62 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.367 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -77.46 68.14 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.5 0.667 . . . . 0.0 111.378 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -93.48 -35.29 6.27 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.155 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.29 161.96 34.08 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.412 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 pt -97.65 134.58 35.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.974 0.416 . . . . 0.0 110.995 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 59.5 m-85 -121.31 156.69 32.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.161 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.9 mm -74.52 112.95 12.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.04 -69.78 1.37 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.014 -0.612 . . . . 0.0 113.068 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.73 143.43 39.05 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.777 0.322 . . . . 0.0 111.52 -179.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -94.15 132.38 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.794 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 17.0 mmt -105.79 123.88 48.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.988 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -61.39 128.81 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.561 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.59 -15.81 19.5 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.13 166.01 43.9 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.414 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.434 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -60.95 -34.87 75.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.2 t -71.33 -32.93 48.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.54 -19.62 65.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.982 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.74 -11.27 54.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.247 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -96.9 -81.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.272 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.3 -13.02 16.27 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.201 -1.0 . . . . 0.0 114.23 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -73.7 -24.28 59.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.748 0.774 . . . . 0.0 111.023 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.1 mt -95.86 139.92 18.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.091 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -144.44 164.33 29.12 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.365 -0.38 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.85 121.91 10.89 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.368 2.046 . . . . 0.0 111.219 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.55 -19.94 9.64 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.672 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' OD1' ' HG2' ' A' ' 90' ' ' LYS . 99.9 m-20 -67.52 135.64 53.32 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.499 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 25.7 ttt -95.07 134.08 38.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.635 0.255 . . . . 0.0 110.791 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.2 mt -89.01 119.69 29.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 89' ' ' ALA . 40.1 mt -100.44 -70.18 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.132 0.491 . . . . 0.0 110.512 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -114.49 132.09 56.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.83 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.5 t -124.92 91.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 64.49 75.74 0.37 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.882 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 72.67 -51.27 0.71 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.102 -0.954 . . . . 0.0 113.387 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 m -69.93 130.12 34.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.123 0.487 . . . . 0.0 111.709 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -107.07 138.14 43.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.887 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -111.19 10.13 21.83 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -55.99 -37.09 68.63 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -110.4 19.62 18.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.791 0.329 . . . . 0.0 111.263 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 94.0 mtp -113.43 153.88 27.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.806 0.336 . . . . 0.0 110.531 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.03 152.81 39.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.769 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -54.06 -46.34 71.92 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.097 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -62.05 -47.22 85.7 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.749 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -60.84 -38.28 84.95 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.784 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.03 83.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.271 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.4 t -68.82 -37.36 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.62 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -55.58 -56.18 23.36 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.648 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.5 -39.46 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.283 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 78' ' ' VAL . 45.2 tp -57.47 -44.54 84.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.684 179.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -58.72 -37.58 76.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.386 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -67.12 -39.92 86.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.944 0.402 . . . . 0.0 110.569 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.3 mt -70.97 -41.97 77.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.46 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 74' ' ' LEU . 57.8 t -64.24 -31.16 52.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.537 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.8 m -91.6 19.19 6.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.545 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -115.64 157.3 24.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.12 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.99 122.04 38.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.961 0.41 . . . . 0.0 111.201 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.74 179.72 26.73 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.165 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.64 121.2 5.44 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.118 2.545 . . . . 0.0 111.917 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.3 mt -101.94 118.91 49.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.693 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.2 m -100.45 129.88 46.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.627 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.5 mt -111.37 124.34 52.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.23 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.4 m -105.44 100.77 10.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.1 m -101.54 149.27 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -177.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.43 ' HB2' HD11 ' A' ' 55' ' ' LEU . . . -112.34 107.68 16.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.412 178.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HG2' ' OD1' ' A' ' 52' ' ' ASP . 22.8 mtpp . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.232 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.651 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.3 mt -94.88 119.82 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.873 0.368 . . . . 0.0 110.729 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 87.5 mt -118.54 134.34 62.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m -105.12 97.3 7.17 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.53 HG21 HD11 ' A' ' 48' ' ' ILE . 12.0 m -89.02 150.32 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.914 0.387 . . . . 0.0 111.449 -178.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 t -108.74 126.38 52.95 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.2 mt -108.46 130.07 55.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.998 0.428 . . . . 0.0 110.909 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -93.46 116.05 28.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.947 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.6 mmm -98.41 14.08 29.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.083 0.468 . . . . 0.0 111.057 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -80.97 -39.61 25.73 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -110.95 17.99 19.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.092 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -139.71 145.32 38.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -107.96 -23.88 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.872 0.368 . . . . 0.0 110.665 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -140.83 164.92 28.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.545 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.4 mt -84.77 -38.67 19.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.441 ' H ' ' C12' ' A' ' 91' ' ' SUZ . . . 78.97 49.16 6.55 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.682 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -152.84 104.95 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.77 0.285 . . . . 0.0 110.903 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.471 ' CA ' ' H9B' ' A' ' 91' ' ' SUZ . 59.9 p -72.8 121.58 20.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.311 0.577 . . . . 0.0 110.354 -179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.4 mm -79.23 130.15 36.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.965 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.3 t -119.06 120.73 64.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.22 115.88 4.58 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.135 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.488 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 8.7 tt0 -75.76 116.47 16.51 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.8 m -112.78 154.1 26.76 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.189 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -158.55 -169.1 2.62 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.28 -39.07 89.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.887 0.375 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -68.85 -50.1 52.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.449 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.4 -43.57 1.65 Allowed Glycine 0 C--O 1.237 0.334 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.525 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.56 87.75 5.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.54 0.686 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 22' ' ' GLN . . . -105.65 -34.52 3.28 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.206 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.29 159.94 24.22 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.358 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 pt -99.1 127.09 52.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.123 0.487 . . . . 0.0 110.566 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.45 ' CE2' ' HB2' ' A' ' 53' ' ' MET . 61.8 m-85 -118.69 155.3 31.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.007 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 mm -77.71 116.29 20.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.021 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.0 -78.13 1.02 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.006 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.33 138.74 54.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.951 0.405 . . . . 0.0 111.879 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.7 mt -97.78 136.88 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.339 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.0 mmt -111.46 132.85 54.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.895 0.379 . . . . 0.0 110.79 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -67.55 126.35 29.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.275 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.49 -14.2 13.3 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.553 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.43 167.28 40.87 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.227 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.49 74.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.775 0.321 . . . . 0.0 111.187 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.4 t -69.53 -34.45 61.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.24 -22.01 66.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.718 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.71 -13.5 45.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.422 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 14.2 t70 -88.95 -68.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.085 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.08 -18.66 54.18 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 120.801 -0.714 . . . . 0.0 114.551 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' HB2' ' OD1' ' A' ' 45' ' ' ASP . 80.0 mtm180 -75.36 -26.71 58.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 117.807 0.803 . . . . 0.0 111.384 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.53 HD11 HG21 ' A' ' 5' ' ' VAL . 64.4 mt -85.34 134.26 27.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -135.45 162.81 55.07 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.306 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.96 125.88 19.97 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.234 1.956 . . . . 0.0 111.159 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.39 -13.98 30.52 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.132 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -65.75 137.34 57.2 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.45 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . 28.6 ttt -97.41 130.54 44.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.688 0.28 . . . . 0.0 111.286 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.28 115.38 26.72 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.8 mt -100.44 -47.27 4.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.126 0.488 . . . . 0.0 110.914 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -127.36 138.14 52.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.767 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' HG22 ' A' ' 60' ' ' VAL . 80.8 t -136.58 109.12 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 3.7 m-20 54.91 59.81 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.216 0.322 . . . . 0.0 111.696 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 58' ' ' ASN . 44.1 m-20 76.82 -45.51 0.49 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 57' ' ' VAL . 17.9 m -67.78 140.46 19.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.367 0.603 . . . . 0.0 111.547 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -98.73 138.5 35.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.744 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -112.57 1.91 16.01 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -64.03 -31.24 72.36 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.704 0.287 . . . . 0.0 110.919 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -105.16 31.83 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.068 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 72.2 mtp -135.13 159.37 41.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.3 p -74.83 159.34 32.05 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -55.71 -42.89 75.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.257 0.551 . . . . 0.0 110.089 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.0 -51.17 67.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.418 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.41 ' O ' HG23 ' A' ' 73' ' ' VAL . 8.6 m-20 -63.7 -36.2 83.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.48 77.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.054 0.454 . . . . 0.0 110.161 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 86.4 t -67.34 -36.43 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.313 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -56.64 -48.03 78.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.409 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 69' ' ' ASP . 28.3 t -69.32 -41.81 81.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.982 0.42 . . . . 0.0 110.062 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.3 tp -56.24 -42.04 76.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.948 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 71' ' ' VAL . 31.6 mtp85 -58.37 -43.14 88.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.279 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -64.92 -37.94 89.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.69 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.61 -42.64 71.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.403 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.2 t -64.33 -39.58 86.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.386 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.6 m -78.12 -4.43 47.38 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.659 0.266 . . . . 0.0 111.686 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.42 155.02 17.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.722 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.79 168.51 19.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.964 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.16 -179.72 26.02 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.127 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.34 157.13 14.67 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.78 2.32 . . . . 0.0 112.12 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.5 mt -126.59 120.94 57.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.9 m -105.22 118.2 35.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.6 mt -107.44 133.73 51.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.012 0.434 . . . . 0.0 111.511 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 m -109.09 99.86 9.11 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.4 m -99.79 142.72 14.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.082 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.23 107.76 18.86 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.725 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.263 -179.546 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SUZ . . . . . 0.618 ' H9 ' ' O3 ' ' A' ' 91' ' ' SUZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_